SCHEMBL31490664

SCHEMBL31490664

Cc1cc([N+](=O)[O-])cc(C=O)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.47
ALDH1A1 P00352 7/20 0.46
CYP3A4 P08684 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
TSHR P16473 4/20 0.44
GPR35 Q9HC97 1/20 0.43
CYP1A2 P05177 1/20 0.41
MAPT P10636 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
PRKDC P78527 1/20 0.38
CYP19A1 P11511 1/20 0.38
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 2/20 0.35

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
SCHEMBL2659395 0.82 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1TSHRGPR35
SCHEMBL26089595 0.81 ERN1 (0.50) ERN1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL14877163 0.81 ERN1 (0.50) ERN1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL11258749 0.80 ERN1 (0.49) ERN1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL31148683 0.79 ERN1 (0.47) ERN1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL6152768 0.79 ERN1 (0.64) ERN1ALDH1A1TDP1TSHRGPR35
SCHEMBL15299073 0.76 ERN1 (0.56) ERN1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL11513166 0.76 ALDH1A1 (0.61) ALDH1A1CYP3A4TDP1TSHRGPR35
SCHEMBL7310925 0.75 TSHR (0.52) ERN1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL850072 0.74 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRGPR35

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-119409645-A USP inhibitor, preparation method and application thereof 重庆华森英诺生物科技有限公司 2025-02-11 CN disclosed