SCHEMBL28154129

SCHEMBL28154129

C=CCc1nc2cccc(Cl)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
AR P10275 1/20 0.35
NOS1 P29475 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
RECQL P46063 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL2163313 0.82 MAPT (0.40) LMNASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL10634839 0.81 ACHE (0.36) LMNARAB9AKDM4EMAPTALDH1A1
SCHEMBL3258411 0.81 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL4633992 0.81 RET (0.34) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5738320 0.78 LMNA (0.39) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1918625 0.78 DDAH1 (0.53) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL25369555 0.78 TDP1 (0.47) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL31345698 0.78 TDP1 (0.47) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7252462 0.78 LMNA (0.39) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9228130 0.77 ALDH1A1 (0.39) RAB9AKDM4EMAPTALDH1A1HPGD

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 3 patents. 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-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
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