SCHEMBL8105539

SCHEMBL8105539

NC(=O)NOCCC(c1ccccc1)c1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.37
BCAT2 O15382 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX2 P34913 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ROCK1 Q13464 2/20 0.33
MYLK4 Q86YV6 2/20 0.33
C3AR1 Q16581 1/20 0.33
ALPL P05186 1/20 0.33
ALOX15 P16050 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
SCHEMBL8115859 0.89 BLM (0.37) CYP3A4TSHRCYP2C19LMNACYP1A2
SCHEMBL8105433 0.89 GAA (0.30)
SCHEMBL8106469 0.89 LMNA (0.37) NR3C2ALDH1A1CYP2C19LMNA
SCHEMBL9436157 0.89 PMP22 (0.37) LMNACYP2D6
SCHEMBL8105725 0.89 EPHX2 (0.35) ALDH1A1CYP3A4TSHRCYP2C19LMNA
SCHEMBL8115930 0.87 SLC6A3 (0.31) NR3C2
SCHEMBL8121685 0.86 NR3C2 (0.33) NR3C2BCAT2ALDH1A1CYP3A4TSHR
SCHEMBL8113408 0.86 CYP19A1 (0.36) NR3C2ALDH1A1CYP3A4ALOX15
SCHEMBL8115167 0.86 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8114623 0.85 PNMT (0.40) NR3C2ALDH1A1CYP3A4KDM4ECYP1A2

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