SCHEMBL23315002

SCHEMBL23315002

CCOc1cc(OC)cc(-c2nc3cnc(Cl)nc3n(C)c2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 19/20 0.53
▸ ALDH1A1 P00352 14/20 0.53
▸ USP2 O75604 13/20 0.53
▸ MEN1 O00255 10/20 0.53
▸ KMT2A Q03164 10/20 0.53
▸ CASP1 P29466 10/20 0.53
▸ HSD17B10 Q99714 10/20 0.53
▸ CYP3A4 P08684 9/20 0.53
▸ CASP7 P55210 9/20 0.53
▸ HIF1A Q16665 6/20 0.53
▸ TP53 P04637 3/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ MAPK1 P28482 4/20 0.50
▸ HPGD P15428 2/20 0.50
▸ FGFR4 P22455 1/20 0.49
▸ GLA P06280 3/20 0.47
▸ CLK4 Q9HAZ1 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ LMNA P02545 3/20 0.46

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
SCHEMBL15413109 0.93 CYP1A2 (0.58) CYP1A2ALDH1A1USP2MEN1KMT2A
SCHEMBL21266720 0.75 CYP1A1 (0.37) CYP1A2CYP3A4CYP2C9FGFR4CYP2D6
SCHEMBL7694822 0.74 CYP1A2 (0.68) CYP1A2ALDH1A1USP2MEN1KMT2A
SCHEMBL15412846 0.74 CYP1A2 (0.50) CYP1A2ALDH1A1USP2MEN1KMT2A
SCHEMBL20331733 0.73 NPC1 (0.51) CYP1A2ALDH1A1CYP3A4CYP2C9CYP2D6
SCHEMBL15434039 0.70 FGFR4 (0.59) CYP1A2ALDH1A1USP2MEN1KMT2A
SCHEMBL24335187 0.69 KDM4E (0.56) ALDH1A1FGFR4
SCHEMBL22420120 0.69 FGFR4 (0.80) CYP1A2ALDH1A1USP2MEN1KMT2A
SCHEMBL18612966 0.69 CYP11B1 (0.49) CYP1A2ALDH1A1KMT2ACYP3A4CYP2C9
SCHEMBL28648564 0.68 FGFR1 (0.53) FGFR4

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-2872491-B1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORP (US) 2021-05-05 — — EP disclosed
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