SCHEMBL10685997

SCHEMBL10685997

C=CCOc1ccc(C=Cc2nc3cccc(C(=O)O)c3[nH]2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ CTDSP1 Q9GZU7 1/20 0.54
▸ NPC1 O15118 6/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ATM Q13315 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CCND3 P30281 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42

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
Phosphoric Acid SCHEMBL10681481 0.96 KMT2A (0.51) KMT2AMEN1CTDSP1NPC1RAB9A
SCHEMBL10687996 0.96 KMT2A (0.50) KMT2AMEN1CTDSP1NPC1RAB9A
SCHEMBL10685544 0.92 KMT2A (0.55) KMT2AMEN1CTDSP1NPC1RAB9A
SCHEMBL10687598 0.89 KMT2A (0.53) KMT2AMEN1NPC1RAB9AALDH1A1
Bromide SCHEMBL10687727 0.88 KMT2A (0.52) KMT2AMEN1NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL10692550 0.88 KMT2A (0.52) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10687241 0.88 NPC1 (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
Phosphoric Acid SCHEMBL10684644 0.86 NPC1 (0.54) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10687023 0.86 KMT2A (0.45) KMT2AMEN1CTDSP1NPC1RAB9A
SCHEMBL10689917 0.86 NPC1 (0.50) KMT2AMEN1NPC1RAB9AALDH1A1

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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