SCHEMBL31480928

SCHEMBL31480928

CC(=O)c1cc(Br)c2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.36
KLK7 P49862 1/20 0.36
GPER1 Q99527 2/20 0.36
GPR183 P32249 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL25391509 0.84 ALDH1A1 (0.53) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL17113228 0.82 NPC1 (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6345461 0.81 KMT2A (0.42) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL31480901 0.79 RAB9A (0.50) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL31480872 0.77 KMT2A (0.36) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL26723859 0.77 KMT2A (0.43) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL4712109 0.77 PLK1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL29206032 0.76 KMT2A (0.52) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL12553087 0.72 CYP3A4 (0.47) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL12553089 0.72 NPC1 (0.36) KMT2AMEN1NPC1RAB9AALDH1A1

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-2025063272-A1 NICOTINAMIDE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL PLANT DISEASE CONTROL AGENT クミアイ化学工業株式会社 2025-03-27 WO disclosed