SCHEMBL11550515

SCHEMBL11550515

Cc1ccc(-c2cn(C)cc(-c3ccc(C)cc3)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.41
▸ ALOX15 P16050 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ KDM5C P41229 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PTGS2 P35354 3/20 0.37
▸ ADORA3 P0DMS8 2/20 0.37

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
SCHEMBL11549547 0.92 BRD4 (0.44) BRD4HPGDHSD17B10MEN1KMT2A
SCHEMBL11551075 0.86 BRD4 (0.45) BRD4HPGDMEN1KMT2ANPC1
SCHEMBL11437271 0.86 MAOB (0.43) BRD4ALOX15HPGDHSD17B10MEN1
SCHEMBL11547644 0.81 BRD4 (0.48) BRD4HSD17B10MEN1KMT2AKDM4E
SCHEMBL11441314 0.80 BRD4 (0.52) BRD4CYP2C19HSD17B10KDM4EALDH1A1
SCHEMBL11434477 0.79 MAPT (0.45) ALOX15CYP2C19HSD17B10KDM4ENPC1
SCHEMBL11434388 0.76 MAOB (0.44) ALOX15NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11555425 0.76 BRD4 (0.41) BRD4HPGDHSD17B10ADORA3MAOB
SCHEMBL11428354 0.76 BRD4 (0.41) BRD4HSD17B10KDM4EMAOBELANE
SCHEMBL11434522 0.76 CNR2 (0.43) BRD4HPGDKMT2ANPC1ALDH1A1

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-4152136-A HERBICIDES ELI LILLY AND COMPANY (US) 1979-05-01 — — US disclosed
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