SCHEMBL31458970

SCHEMBL31458970

COC(=O)Cc1cc(F)cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.49
ALDH1A1 P00352 4/20 0.43
THRB P10828 1/20 0.43
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MAPT P10636 1/20 0.39
PTGS2 P35354 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
LMNA P02545 3/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL28451580 0.85 KMT2A (0.45) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL1115348 0.83 HSP90AB1 (0.62) HSP90AB1ALDH1A1MEN1KMT2ACYP4F2
SCHEMBL31459087 0.82 CYP1A2 (0.45) ALDH1A1MAPTGAA
SCHEMBL6210270 0.81 KMT2A (0.42) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL4223487 0.81 HSP90AB1 (0.49) HSP90AB1ALDH1A1PDGFRBFGFR1PDGFRA
SCHEMBL1997562 0.81 HSP90AB1 (0.49) HSP90AB1ALDH1A1THRBPDGFRBFGFR1
SCHEMBL5748815 0.81 HSP90AB1 (0.45) HSP90AB1ALDH1A1THRBPDGFRBFGFR1
SCHEMBL17391196 0.79 PDGFRB (0.43) HSP90AB1ALDH1A1THRBPDGFRBFGFR1
SCHEMBL25460764 0.77 HSP90AB1 (0.55) HSP90AB1ALDH1A1MEN1KMT2ACYP4F2
SCHEMBL2984242 0.77 HSP90AB1 (0.76) HSP90AB1ALDH1A1MEN1KMT2ACYP4F2

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-2025067227-A1 PREPARATION METHOD FOR CBL-B REGULATOR, AND USE 浙江华海药业股份有限公司 2025-04-03 WO disclosed