SCHEMBL31001012

SCHEMBL31001012

COC(=O)Cc1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.53
FGFR1 P11362 1/20 0.53
PDGFRA P16234 1/20 0.53
FLT1 P17948 1/20 0.53
FGFR3 P22607 1/20 0.53
KDR P35968 1/20 0.53
ALDH1A1 P00352 9/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL1626207 1.00 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL502591 0.88 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28113289 0.85 MAPT (0.50) ALDH1A1TDP1TSHRMAPTCYP3A4
SCHEMBL2133926 0.85 CYP1A2 (0.68) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL29777188 0.85 CYP1A2 (0.68) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1626187 0.84 GAA (0.58) ALDH1A1MAPTCYP1A2CYP3A4KMT2A
SCHEMBL6597479 0.84 CYP1A2 (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31037350 0.84 CYP1A2 (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL16619742 0.84 CYP1A2 (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1625685 0.84 MAPT (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3

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
EP-4400493-A1 HYDROXAMIC ACID COMPOUND HAVING ENPP1 INHIBITORY ACTIVITY AND USE THEREOF Haihe Biopharma Co., Ltd. (CN) 2024-07-17 EP disclosed