SCHEMBL29385053

SCHEMBL29385053

COc1cc(OC)cc(-c2cc3cnc(Cl)nc3cc2OC)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ FGFR1 P11362 12/20 0.53
▸ FGFR2 P21802 3/20 0.42
▸ FGFR4 P22455 3/20 0.42
▸ FGFR3 P22607 3/20 0.42
▸ SRC P12931 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDR P35968 2/20 0.39
▸ PDGFRB P09619 2/20 0.38
▸ PDGFRA P16234 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37

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
SCHEMBL15413235 1.00 KDM4E (0.65) KDM4EALDH1A1SMN1; SMN2FGFR1FGFR2
Hydrochloric Acid SCHEMBL28010166 0.99 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2FGFR1FGFR2
SCHEMBL24335187 0.92 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2FGFR1FGFR2
SCHEMBL29385006 0.87 FGFR1 (0.55) KDM4EALDH1A1SMN1; SMN2FGFR1FGFR2
SCHEMBL16667808 0.87 FGFR1 (0.55) KDM4EALDH1A1SMN1; SMN2FGFR1FGFR2
SCHEMBL16668439 0.84 FGFR1 (0.52) KDM4EALDH1A1SMN1; SMN2FGFR1FGFR2
SCHEMBL31647846 0.84 FGFR1 (0.59) KDM4EALDH1A1SMN1; SMN2FGFR1FGFR2
SCHEMBL29386366 0.84 FGFR1 (0.52) KDM4EALDH1A1SMN1; SMN2FGFR1FGFR2
SCHEMBL31647808 0.81 FGFR1 (0.49) KDM4EALDH1A1SMN1; SMN2FGFR1FGFR2
SCHEMBL1010778 0.80 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA

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-110028491-B Fibroblast growth factor receptor inhibitors 缆图药品公司 2022-02-11 — — CN disclosed
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