SCHEMBL10689917

SCHEMBL10689917

CCS(=O)(=O)O.COc1ccc(C=Cc2nc3cccc(C(=O)O)c3[nH]2)cc1OC

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KMT2A Q03164 9/20 0.48
▸ MEN1 O00255 8/20 0.48
▸ KDM4E B2RXH2 5/20 0.46
▸ ATM Q13315 1/20 0.44
▸ PSMD14 O00487 1/20 0.44
▸ HPGD P15428 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
Sulfuric Acid SCHEMBL10687281 0.96 KMT2A (0.49) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL10684866 0.95 KMT2A (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL10687598 0.94 KMT2A (0.53) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
Bromide SCHEMBL10687727 0.93 KMT2A (0.52) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL10692550 0.93 KMT2A (0.52) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL10686922 0.92 KMT2A (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL10684882 0.90 NPC1 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
Phosphoric Acid SCHEMBL10788725 0.90 KMT2A (0.49) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
Nitric Acid SCHEMBL10690090 0.88 KMT2A (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL10688477 0.88 KMT2A (0.49) NPC1RAB9AALDH1A1SMN1; SMN2MAPT

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
US-4769384-A ANTIULCER AGENTS NIPPON SHINYAKU CO. LTD. (JP) 1988-09-06 — — US disclosed
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