SCHEMBL30438328

SCHEMBL30438328

Cc1ccc([N+](=O)[O-])c(F)c1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
TSHR P16473 6/20 0.51
CASP6 P55212 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL27344388 0.86 TDP1 (0.60) TDP1L3MBTL1TSHRCASP6CES2
SCHEMBL17145186 0.86 TDP1 (0.47) TDP1L3MBTL1TSHRCES2CES1
SCHEMBL1585078 0.82 TDP1 (0.64) TDP1L3MBTL1TSHRCASP6CES2
SCHEMBL633629 0.82 TDP1 (0.46) TDP1L3MBTL1TSHRCASP6MAPT
SCHEMBL28416779 0.81 L3MBTL1 (0.43) TDP1L3MBTL1TSHRCES2CES1
SCHEMBL12086987 0.81 TDP1 (0.62) TDP1L3MBTL1TSHRCASP6CES2
SCHEMBL29154301 0.81 TDP1 (0.45) TDP1L3MBTL1TSHRCASP6MAPT
SCHEMBL2532517 0.79 TDP1 (0.44) TDP1L3MBTL1TSHRCASP6MAPT
SCHEMBL18338921 0.79 TDP1 (0.47) TDP1L3MBTL1TSHRCASP6MAPT
SCHEMBL18744866 0.79 TDP1 (0.51) TDP1L3MBTL1TSHRCASP6CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954810-A Regulator of fused ring derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-09 CN disclosed
CN-118302427-A Fused ring derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-07-05 CN disclosed
WO-2023098880-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-06-08 WO disclosed