SCHEMBL9995334

SCHEMBL9995334

ClCCCCn1cnc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.72
SMN1; SMN2 Q16637 9/20 0.67
LMNA P02545 6/20 0.67
TSHR P16473 2/20 0.67
ALOX15 P16050 1/20 0.67
HTT P42858 6/20 0.60
MAPT P10636 3/20 0.60
STAT3 P40763 1/20 0.60
CYP11B1 P15538 2/20 0.59
CYP11B2 P19099 2/20 0.59
TNF P01375 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
EGLN3 Q9H6Z9 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30814332 0.98 TDP1 (0.70) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL29162973 0.98 TDP1 (0.70) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL5637113 0.95 TDP1 (0.75) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL3161153 0.93 TDP1 (0.84) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL2331250 0.91 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15
Ammonia Solution, Strong SCHEMBL7100443 0.91 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL352046 0.91 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL9814241 0.91 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL353009 0.91 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL7207736 0.89 TDP1 (0.78) TDP1SMN1; SMN2LMNATSHRALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106699670-B Benzimidazolyl piperazine compounds and its preparation method and pharmaceutical composition 沈阳海王生物技术有限公司 2019-11-19 CN disclosed
CN-106420754-B The purposes of benzo five-membered Azacyclyl bridged piperazine derivatives 沈阳海王生物技术有限公司 2019-11-05 CN disclosed
CN-105037275-B The method for preparing Zilpaterol and its salt 英特威国际有限公司 2019-05-10 CN disclosed
CN-108721289-A The purposes of benzo five-membered Azacyclyl piperidine derivative 沈阳海王生物技术有限公司 2018-11-02 CN disclosed
CN-103833643-B Benzimidazolyl piperazine compound and preparation method and pharmaceutical composition thereof 沈阳海王生物技术有限公司 2018-01-02 CN disclosed
US-9802929-B2 Benzo five-membered nitrogen heterocyclic piperidine or piperazine derivatives and preparation methods and pharmaceutical compositions thereof SHENYANG HAIWANG BIOTECHNOLOGY CO., LTD. (CN) 2017-10-31 US disclosed
CN-103833730-B Benzo five-membered Azacyclyl piperidine derivative, Its Preparation Method And Use 沈阳海王生物技术有限公司 2017-08-04 CN disclosed
CN-106699670-A Benzimidazolyl piperazine compounds, preparation method thereof and pharmaceutical composition 辽宁艾美生物医药产业有限公司 2017-05-24 CN disclosed
CN-106420754-A Use of benzo five-membered nitrogen-containing heterocyclic piperazine derivative 辽宁艾美生物医药产业有限公司 2017-02-22 CN disclosed
US-9415047-B2 Use of benzo five-membered nitrogen heterocyclic piperazine or piperidine derivatives Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2016-08-16 US disclosed
US-4377578-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1983-03-22 US disclosed
US-4250176-A BENZIMIDAZOLE-2-ONE, BENZOTHIAZOL-2-ONE, OR BENZOXAZOL-2-ONE SUBSTITUTIONS, ANTIANAPHALACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1981-02-10 US disclosed
US-4200641-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1980-04-29 US disclosed
US-4175129-A Antiemetic 1-(benzoxazolylalkyl)-piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-20 US disclosed
US-4160836-A Antiemetic 1-(benzothiazolylalkyl)piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1979-07-10 US disclosed
US-4126688-A ANTIEMETIC 1-(BENZOTRIAZOLYL-ALKYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 US disclosed
US-4126687-A ANTIEMETIC, 1-(BENZIMIDAZOLYL-ALKYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 US disclosed
US-4110333-A ANTIEMETIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1978-08-29 US disclosed
US-4066772-A ANTIEMETICS JANSSEN PHARMACEUTICA N.V. (BE) 1978-01-03 US disclosed
US-4035369-A 1-Benzazolylalkyl-4-substituted-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1977-07-12 US disclosed