SCHEMBL31529596

SCHEMBL31529596

NCc1ccc(Br)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
GLA P06280 1/20 0.58
APEX1 P27695 1/20 0.46
MYC P01106 1/20 0.45
NR4A1 P22736 1/20 0.45
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GPR35 Q9HC97 1/20 0.44
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
PIM1 P11309 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 2/20 0.42
CES2 O00748 1/20 0.42
GALR3 O60755 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL25612072 1.00 KDM4E (0.58) KDM4EGLAAPEX1MYCNR4A1
Hydrochloric Acid SCHEMBL29919912 0.98 KDM4E (0.56) KDM4EGLAAPEX1MYCNR4A1
SCHEMBL4816871 0.85 KDM4E (0.53) KDM4EGLAAPEX1MYCNR4A1
SCHEMBL6844857 0.82 KDM4E (0.55) KDM4EGLAAPEX1MYCNR4A1
SCHEMBL3172005 0.82 KDM4E (0.55) KDM4EGLAAPEX1MYCNR4A1
SCHEMBL23243427 0.82 KDM4E (0.55) KDM4EGLAAPEX1MYCNR4A1
SCHEMBL31125276 0.82 KDM4E (0.55) KDM4EGLAAPEX1MYCNR4A1
SCHEMBL1400054 0.81 KDM4E (0.53) KDM4EGLAAPEX1MYCNR4A1
SCHEMBL31053264 0.81 KDM4E (0.53) KDM4EGLAAPEX1MYCNR4A1
SCHEMBL28047920 0.81 KDM4E (0.53) KDM4EGLAAPEX1MYCNR4A1

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-120004861-A Allosteric EGFR inhibitors and methods of use thereof 达纳-法伯癌症研究所股份有限公司 2025-05-16 CN disclosed