SCHEMBL31528481

SCHEMBL31528481

CCOC(=O)c1nc2cc(Br)ccn2c1C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
MAPK1 P28482 3/20 0.50
SMN1; SMN2 Q16637 5/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ELANE P08246 3/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
MAPT P10636 3/20 0.43
HCRTR1 O43613 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
PDE4A P27815 1/20 0.42
TARBP2 Q15633 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL21936057 0.88 MAPT (0.46) RAB9ANPC1MAPK1SMN1; SMN2ELANE
SCHEMBL21936036 0.87 PTGS1 (0.44) RAB9ANPC1MAPK1SMN1; SMN2ELANE
SCHEMBL20876119 0.86 PTGS1 (0.44) RAB9ANPC1MAPK1SMN1; SMN2ELANE
SCHEMBL31528527 0.85 RAB9A (0.50) RAB9ANPC1MAPK1SMN1; SMN2CYP1A2
SCHEMBL31164721 0.84 RAB9A (0.52) RAB9ANPC1MAPK1SMN1; SMN2CYP1A2
SCHEMBL21937178 0.84 PTGS1 (0.42) RAB9ANPC1MAPK1SMN1; SMN2ELANE
SCHEMBL31528577 0.84 RAB9A (0.49) RAB9ANPC1MAPK1SMN1; SMN2CYP1A2
SCHEMBL20876131 0.83 PTGS1 (0.41) RAB9ANPC1MAPK1SMN1; SMN2ELANE
SCHEMBL20876163 0.83 PTGS1 (0.41) RAB9ANPC1MAPK1SMN1; SMN2ELANE
SCHEMBL1445392 0.77 NPC1 (0.56) RAB9ANPC1MAPK1SMN1; SMN2ELANE

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
WO-2025077671-A1 POLYSUBSTITUTED ARYL DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2025-04-17 WO disclosed