SCHEMBL8106469

SCHEMBL8106469

Cc1ccc(C(CCONC(N)=O)c2c[nH]cn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
NR3C2 P08235 2/20 0.35
CYP2C19 P33261 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALOX5 P09917 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 3/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
CASR P41180 1/20 0.31
DCAF1 Q9Y4B6 1/20 0.31

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) LMNANR3C2CYP2C19ALDH1A1
SCHEMBL8105433 0.88 GAA (0.30) GAAHTT
SCHEMBL9436157 0.88 PMP22 (0.37) LMNACNR1CNR2ALOX5KMT2A
SCHEMBL8105725 0.88 EPHX2 (0.35) LMNACYP2C19KMT2ACYP19A1GAA
SCHEMBL8115859 0.88 BLM (0.37) LMNACYP2C19CNR1L3MBTL1
SCHEMBL8113408 0.85 CYP19A1 (0.36) NR3C2CNR2KMT2ACYP19A1ALDH1A1
SCHEMBL8115930 0.80 SLC6A3 (0.31) NR3C2
SCHEMBL8121685 0.78 NR3C2 (0.33) LMNANR3C2CYP2C19ALOX5HTT
SCHEMBL8115167 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8114623 0.77 PNMT (0.40) NR3C2KMT2AGAAALDH1A1

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