SCHEMBL31398256

SCHEMBL31398256

Cc1oncc1-c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDO2 P48775 5/20 0.39
BRD4 O60885 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
GAA P10253 3/20 0.37
DGAT1 O75907 1/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL26868062 0.83 L3MBTL1 (0.42) MAPTL3MBTL1TDO2BRD4RAB9A
SCHEMBL7472158 0.79 TDO2 (0.59) MAPTL3MBTL1TDO2BRD4RAB9A
SCHEMBL19367737 0.78 MAPT (0.45) MAPTL3MBTL1TDO2BRD4RAB9A
SCHEMBL14711436 0.76 TDO2 (0.67) MAPTTDO2RAB9ANPC1SMN1; SMN2
SCHEMBL20505270 0.72 CYP19A1 (0.54) MAPTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL27751423 0.71 LMNA (0.49) MAPTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL22637149 0.70 TDO2 (0.51) MAPTL3MBTL1TDO2BRD4ALDH1A1
SCHEMBL1167672 0.69 MEN1 (0.47) MAPTL3MBTL1TDO2BRD4RAB9A
SCHEMBL22637099 0.68 BRD4 (0.40) MAPTL3MBTL1TDO2BRD4RAB9A
SCHEMBL12492122 0.68 CYP3A4 (0.48) MAPTL3MBTL1TDO2BRD4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371412-A CYP11B2 inhibitor compound, pharmaceutical composition and application thereof 长春金赛药业有限责任公司 2025-01-28 CN disclosed