SCHEMBL29590262

SCHEMBL29590262

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 11/20 0.57
▸ MAPT P10636 1/20 0.51
▸ STAT3 P40763 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MCHR1 Q99705 2/20 0.49
▸ MTOR P42345 1/20 0.45
▸ KCNQ3 O43525 1/20 0.44
▸ KCNQ2 O43526 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ FPR1 P21462 1/20 0.43
▸ FPR2 P25090 1/20 0.43

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
SCHEMBL14783088 1.00 EPHX2 (0.57) EPHX2MAPTSTAT3SMN1; SMN2MCHR1
SCHEMBL29590204 0.93 RAF1 (0.49) EPHX2MAPTSTAT3SMN1; SMN2BRAF
SCHEMBL14783483 0.93 RAF1 (0.49) EPHX2MAPTSTAT3SMN1; SMN2BRAF
SCHEMBL29590933 0.92 AKT1 (0.49) EPHX2MAPTSTAT3SMN1; SMN2MCHR1
SCHEMBL14783387 0.92 AKT1 (0.49) EPHX2MAPTSTAT3SMN1; SMN2MCHR1
SCHEMBL14784050 0.92 MTOR (0.51) EPHX2MAPTMTORKCNQ3KCNQ2
SCHEMBL29590344 0.92 MTOR (0.51) EPHX2MAPTMTORKCNQ3KCNQ2
SCHEMBL14783836 0.91 EPHX2 (0.45) EPHX2MAPTSTAT3SMN1; SMN2MCHR1
SCHEMBL29591695 0.91 EPHX2 (0.45) EPHX2MAPTSTAT3SMN1; SMN2MCHR1
SCHEMBL29591439 0.91 MTOR (0.51) EPHX2MAPTSMN1; SMN2MCHR1MTOR

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
CN-115403531-A Chemical entities, compositions, and methods as kinase inhibitors 润新生物公司 2022-11-29 — — CN disclosed
CN-108794411-B Certain chemical entities, compositions, and methods 润新生物公司 2022-06-07 — — CN disclosed
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