SCHEMBL29973183

SCHEMBL29973183

Nc1cc(Cc2ccccc2)c(N)c(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HTR2A P28223 1/20 0.39
CALM1 P0DP23 1/20 0.38
PTPN1 P18031 2/20 0.37
DPP4 P27487 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL23579383 1.00 BCL2 (0.41) BCL2BCL2L1PTGS1PTGS2CYP11B1
SCHEMBL29972748 0.89 MAPT (0.38)
SCHEMBL23579424 0.89 MAPT (0.38)
SCHEMBL22658124 0.79 PDE4B (0.41) CYP11B1CYP11B2
SCHEMBL28106581 0.79 CYP3A4 (0.48) BCL2BCL2L1PTGS1PTGS2CYP11B1
SCHEMBL24254882 0.78 HSD17B10 (0.50) ALOX5PTGDR2ALDH1A1HSD17B10
SCHEMBL10703351 0.77 HTR2A (0.48) BCL2BCL2L1CYP11B1CYP11B2HTR2A
SCHEMBL10713368 0.76 PTGS1 (0.50) PTGS1PTGS2PTGDR2ALDH1A1
SCHEMBL31457309 0.75 CYP3A4 (0.45) PTGS1PTGS2CYP11B1CYP11B2PTGDR2
SCHEMBL27485032 0.74 CYP11B1 (0.45) CYP11B1CYP11B2HTR2ACALM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081199-A2 LIPOXYGENASE INHIBITORS SRI International (US) 2022-11-02 EP disclosed
CN-115135316-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-09-30 CN disclosed