SCHEMBL29972748

SCHEMBL29972748

Nc1cc(Cc2ccc(F)cc2)c(N)c(-c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
KDM4E B2RXH2 1/20 0.36
ADORA1 P30542 2/20 0.36
MPO P05164 2/20 0.36
ADORA2A P29274 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTK2B Q14289 1/20 0.35
CSNK2A1 P68400 1/20 0.34
RET P07949 1/20 0.34
KDR P35968 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL23579424 1.00 MAPT (0.38) MAPTKDM4EADORA1MPOADORA2A
SCHEMBL29973183 0.89 BCL2 (0.41)
SCHEMBL23579383 0.89 BCL2 (0.41)
SCHEMBL9407146 0.75 DPP4 (0.48) MAPTTP53SMN1; SMN2
SCHEMBL28960523 0.73 MPO (0.45) MAPTMPO
SCHEMBL31457309 0.72 CYP3A4 (0.45)
SCHEMBL24254882 0.72 HSD17B10 (0.50) MAPTADORA1ADORA2A
SCHEMBL29973116 0.71 HSD17B10 (0.41) MAPTADORA2A
SCHEMBL4447987 0.71 HSD17B10 (0.41) MAPTADORA2A
SCHEMBL10713368 0.70 PTGS1 (0.50) KDM4ECYP1A2CYP2C9HPGDCYP2C19

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