SCHEMBL362407

SCHEMBL362407

O=CCC(c1ccccc1)(c1ccccc1)c1cc(F)ncc1Cl

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
KIF11 P52732 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CTSC P53634 1/20 0.30
CYP19A1 P11511 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30

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
SCHEMBL364370 0.83
SCHEMBL362408 0.78 NFE2L2 (0.35) KIF11
SCHEMBL4461018 0.75 KCNN4 (0.47) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL440368 0.70 KIF11 (0.41) KMT2AALDH1A1LMNAHTTKIF11
SCHEMBL365204 0.68 FFAR1 (0.31)
SCHEMBL363298 0.67 EGFR (0.32) KMT2AMAPTHTTHPGDKIF11
SCHEMBL362087 0.67 ALDH1A1 (0.31) ALDH1A1GLAHPGDCTSC
SCHEMBL370168 0.64 CYP19A1 (0.33) KIF11CYP19A1MKNK2
SCHEMBL11955162 0.64 MKNK1 (0.38) ALDH1A1MAPTKDM4EMKNK1MKNK2
SCHEMBL364699 0.63 GAA (0.36) KMT2AALDH1A1MAPTHPGDKIF11

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed