SCHEMBL27590519

SCHEMBL27590519

COc1ccc2c(c1)NC(C=O)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.37
▸ ABCB1 P08183 1/20 0.36
▸ AR P10275 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ TRIM24 O15164 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ TRIM33 Q9UPN9 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL27590514 0.88 ALDH1A1 (0.37) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL27590520 0.79 BRD4 (0.45) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL27668764 0.76 BRD4 (0.35) ALDH1A1ARMEN1KMT2AKDM4E
SCHEMBL27560728 0.76 HSD17B10 (0.36) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL27590516 0.76 KDM4E (0.33) MEN1KMT2AKDM4EGAA
SCHEMBL27668661 0.76 AHR (0.35) ERN1MEN1KMT2AKDM4EMAPT
SCHEMBL27590240 0.76 KDM4E (0.33) MEN1KMT2AKDM4ECA12CA9
SCHEMBL27556457 0.74 POLB (0.40) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL27654633 0.72 ACE2 (0.38) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL27804773 0.71 ALDH1A1 (0.41) ALDH1A1ERN1MEN1KMT2AHSD17B10

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-1561212-A Benzimidazolone Derivatives as Muscarinic Agents ACADIA PHARM INC (US) 2005-01-05 — — CN disclosed
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