SCHEMBL29974706

SCHEMBL29974706

Nc1ccc(-c2ccccc2)c(N)c1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.44
MEN1 O00255 1/20 0.42
CASP3 P42574 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
NCOA1 Q15788 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADORA2A P29274 3/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
CYP1A2 P05177 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 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
SCHEMBL23579132 1.00 ADORA1 (0.44) ADORA1MEN1CASP3BLMKMT2A
SCHEMBL904407 0.89 ALDH1A1 (0.50) ALDH1A1HSD17B10ADORA2AHPGDCYP3A4
SCHEMBL28374374 0.79 ALDH1A1 (0.50) MEN1BLMKMT2ANCOA1NCOA3
SCHEMBL16178332 0.77 HSD17B10 (0.48) ADORA1MEN1BLMKMT2AALDH1A1
SCHEMBL29638163 0.77 HSD17B10 (0.48) ADORA1MEN1BLMKMT2AALDH1A1
SCHEMBL28130162 0.77 HSD17B10 (0.48) ADORA1MEN1BLMKMT2AALDH1A1
SCHEMBL28293323 0.76 ADORA1 (0.49) ADORA1MEN1CASP3BLMKMT2A
SCHEMBL10608496 0.76 HSD17B10 (0.48) ADORA1ALDH1A1HSD17B10ADORA2AHPGD
SCHEMBL28897414 0.75 HSD17B10 (0.48) ADORA1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL845162 0.74 HSD17B10 (0.52) ADORA1ALDH1A1HSD17B10ADORA2ACYP3A4

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-115135316-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-09-30 CN disclosed