SCHEMBL10687598

SCHEMBL10687598

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.53
▸ MEN1 O00255 6/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HPGD P15428 3/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ HPGDS O60760 1/20 0.48

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
Hydrochloric Acid SCHEMBL10692550 0.99 KMT2A (0.52) KMT2AMEN1NPC1RAB9AALDH1A1
Bromide SCHEMBL10687727 0.99 KMT2A (0.52) KMT2AMEN1NPC1RAB9AALDH1A1
Sulfuric Acid SCHEMBL10687281 0.96 KMT2A (0.49) KMT2AMEN1NPC1RAB9AALDH1A1
Phosphoric Acid SCHEMBL10788725 0.96 KMT2A (0.49) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10684866 0.95 KMT2A (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
Nitric Acid SCHEMBL10690090 0.94 KMT2A (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10689917 0.94 NPC1 (0.50) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10684882 0.92 NPC1 (0.62) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10689631 0.91 APP (0.52) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL10686922 0.91 KMT2A (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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