SCHEMBL28868432

SCHEMBL28868432

CCCCC(Cl)OC(=O)c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
LMNA P02545 6/20 0.58
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 4/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 8/20 0.51
MEN1 O00255 3/20 0.49
HPGD P15428 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL10884340 0.96 LMNA (0.60) L3MBTL1LMNACYP1A2CYP2C9TSHR
SCHEMBL29155475 0.92 L3MBTL1 (0.56) L3MBTL1LMNACYP1A2CYP2C9TSHR
SCHEMBL27513083 0.83 LMNA (0.49) L3MBTL1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL28180841 0.83 LMNA (0.49) LMNATSHRALDH1A1KMT2AMEN1
SCHEMBL28359033 0.83 LMNA (0.64) L3MBTL1LMNACYP1A2CYP2C9TSHR
SCHEMBL27429967 0.81 PRKCA (0.47) CYP1A2CYP2C9TSHRCYP2C19MAPT
SCHEMBL27469286 0.81 TSHR (0.45) LMNACYP1A2CYP2C9TSHRCYP2C19
SCHEMBL10215255 0.80 L3MBTL1 (0.58) L3MBTL1LMNACYP1A2CYP2C9TSHR
SCHEMBL29040283 0.80 LMNA (0.64) L3MBTL1LMNACYP1A2CYP2C9TSHR
SCHEMBL29534350 0.80 LMNA (0.60) L3MBTL1LMNACYP1A2CYP2C9TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110079057-A The production method of transparent conductive material and preparation method thereof and transparent conductive film 深圳市华星光电技术有限公司 2019-08-02 CN claimed
CN-110079057-A The production method of transparent conductive material and preparation method thereof and transparent conductive film 深圳市华星光电技术有限公司 2019-08-02 CN disclosed
CN-109897028-A Dabigatran ester derivant and its pharmaceutical use 上海美悦生物科技发展有限公司 2019-06-18 CN disclosed
CN-109206825-A A kind of assembly energy-absorbing method based on physics split-phase supermolecule dynamic aggregation object 翁秋梅 2019-01-15 CN disclosed
CN-109206625-A A kind of physics split-phase supermolecule dynamic aggregation object and its application 翁秋梅 2019-01-15 CN disclosed
CN-109206826-A A kind of physics split-phase dynamic aggregation object and its application 翁秋梅 2019-01-15 CN disclosed