SCHEMBL8105536

SCHEMBL8105536

NC(=O)NOCCCc1cn(-c2ccccc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 10/20 0.51
CPB1 P15086 6/20 0.51
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.35
USP30 Q70CQ3 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
SCHEMBL8104605 0.88 CPB1 (0.39) CPB2CPB1CYP3A4CYP2D6CYP2C9
SCHEMBL8104875 0.88 CPB2 (0.40) CPB2CPB1CYP3A4CYP2D6CYP2C9
SCHEMBL8117574 0.88 CPB1 (0.39) CPB2CPB1KDM4ECYP3A4CYP2D6
SCHEMBL8105722 0.88 CPB2 (0.39) CPB2CPB1MAPTALDH1A1CYP3A4
SCHEMBL8115856 0.88 MAP4K4 (0.44) CPB2CPB1MAPTALDH1A1KDM4E
SCHEMBL8114864 0.86 CPB2 (0.39) CPB2CPB1
SCHEMBL8112894 0.85 CPB2 (0.42) CPB2CPB1ALDH1A1
SCHEMBL8113266 0.84 NR3C2 (0.41) CPB2CPB1KDM4EUSP30
SCHEMBL8114629 0.83 CPB1 (0.42) CPB2CPB1ALDH1A1
SCHEMBL8119584 0.83 TUBB4A (0.37) CPB2CPB1ALDH1A1

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