SCHEMBL28846592

SCHEMBL28846592

O=C1c2ccccc2C(=O)N1Sc1ccc(C2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPT P10636 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ PKM P14618 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ MC4R P32245 1/20 0.54
▸ CYP2C19 P33261 1/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ PTPRC P08575 1/20 0.39
▸ PTPRF P10586 1/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ STING1 Q86WV6 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL30091420 0.76 ALDH1A1 (0.54) ALDH1A1MAPTHPGDHSD17B10PKM
SCHEMBL28846594 0.76 ALDH1A1 (0.54) ALDH1A1MAPTHPGDHSD17B10PKM
SCHEMBL809458 0.74 CASP3 (0.48) ALDH1A1MAPTHPGDHSD17B10PKM
SCHEMBL30872008 0.74 CASP3 (0.48) ALDH1A1MAPTHPGDHSD17B10PKM
SCHEMBL20503165 0.73 MEN1 (0.52) ALDH1A1MAPTHPGDHSD17B10PKM
SCHEMBL11105056 0.73 KMT2A (0.46) ALDH1A1MAPTHPGDHSD17B10PKM
SCHEMBL6282881 0.73 CASP3 (0.51) ALDH1A1PKMTSHRHTTKMT2A
SCHEMBL5372576 0.72 MEN1 (0.53) ALDH1A1MAPTHPGDHSD17B10PKM
SCHEMBL28673975 0.72 GSK3B (0.44) ALDH1A1MAPTHPGDHSD17B10PKM
SCHEMBL29727795 0.72 MAP2K7 (0.41) ALDH1A1MAPTHPGDHSD17B10PKM

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-115087697-A Flame retardant chemical composition 诺德特利特芬兰公司 2022-09-20 — — CN disclosed
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