SCHEMBL31314627

SCHEMBL31314627

CCCCC#Cc1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 5/20 0.45
▸ CYP2C19 P33261 5/20 0.45
▸ CYP3A4 P08684 5/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40

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
SCHEMBL10740501 0.93 CYP3A4 (0.48) CYP2C9CYP2C19CYP3A4CYP1A2KDM4E
SCHEMBL13520593 0.83 ALDH1A1 (0.64) CYP2C9CYP2C19CYP3A4CYP1A2KDM4E
SCHEMBL28352745 0.82 CA1 (0.46) CYP2C9CYP2C19CYP1A2TDP1ALDH1A1
SCHEMBL23266142 0.81 ALDH1A1 (0.47) CYP2C9CYP2C19CYP3A4CYP1A2KDM4E
SCHEMBL7833889 0.79 CYP3A4 (0.67) CYP2C9CYP2C19CYP3A4CYP1A2KDM4E
SCHEMBL31026506 0.79 CYP3A4 (0.67) CYP2C9CYP2C19CYP3A4CYP1A2KDM4E
SCHEMBL7705813 0.77 FFAR1 (0.55) CYP2C9CYP2C19CYP3A4CYP1A2KDM4E
SCHEMBL30022461 0.77 CA1 (0.60) CYP3A4KDM4EMAPTTDP1LMNA
SCHEMBL4214499 0.77 CA1 (0.60) CYP3A4KDM4EMAPTTDP1LMNA
SCHEMBL6814216 0.77 FFAR1 (0.47) CYP2C9CYP2C19CYP3A4CYP1A2KDM4E

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
WO-2024261504-A1 BENZOFURAN-3-CARBOXYLIC ACID AMIDES AND BENZOFURAN-3- CARBONYL-BENZAMIDES, METHOD FOR THEIR PRODUCTION WITH HIGH SELECTIVITY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PÉCSI TUDOMÁNYEGYETEM (HU) 2024-12-26 — — WO disclosed
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