SCHEMBL8105725

SCHEMBL8105725

NC(=O)NOCCC(c1ccc(F)cc1)c1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.35
ROCK1 Q13464 1/20 0.34
MYLK4 Q86YV6 1/20 0.34
FAAH O00519 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2J2 P51589 1/20 0.33
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL8105539 0.89 NR3C2 (0.37) EPHX2ROCK1MYLK4CYP3A4CYP2D6
SCHEMBL8106469 0.88 LMNA (0.37) CYP2C19KMT2ACYP19A1LMNAGAA
SCHEMBL8115859 0.88 BLM (0.37) CYP3A4CYP2D6TSHRCYP2C9CYP2C19
SCHEMBL9436157 0.88 PMP22 (0.37) CYP2D6MEN1PMP22KMT2ALMNA
SCHEMBL8105433 0.88 GAA (0.30) GAA
SCHEMBL8113408 0.87 CYP19A1 (0.36) CYP3A4CYP2C9MEN1KMT2ACYP19A1
SCHEMBL8115322 0.83 NR3C2 (0.33) MAPK1GAAALDH1A1
SCHEMBL8115930 0.80 SLC6A3 (0.31)
SCHEMBL8114623 0.79 PNMT (0.40) CYP3A4CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL8115167 0.78 ALDH1A1 (0.30) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP claimed
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP claimed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO claimed
EP-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP disclosed
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP disclosed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO disclosed