SCHEMBL8105722

SCHEMBL8105722

NC(=O)NOCCCc1cn(-c2ccc(F)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 4/20 0.39
CPB1 P15086 3/20 0.39
NR3C2 P08235 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 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) CPB2CPB1NR3C2HDAC3HDAC4
SCHEMBL8117574 0.88 CPB1 (0.39) CPB2CPB1HDAC1CYP3A4CYP2D6
SCHEMBL8115856 0.88 MAP4K4 (0.44) CPB2CPB1NR3C2LMNAMAPT
SCHEMBL8105536 0.88 CPB2 (0.51) CPB2CPB1LMNAMAPTCYP3A4
SCHEMBL8112894 0.87 CPB2 (0.42) CPB2CPB1NR3C2HDAC3HDAC4
SCHEMBL8114597 0.81 KDM5A (0.42) CPB2CPB1NR3C2LMNAHDAC1
SCHEMBL8114864 0.80 CPB2 (0.39) CPB2CPB1
SCHEMBL8113266 0.79 NR3C2 (0.41) CPB2CPB1NR3C2
SCHEMBL8114629 0.77 CPB1 (0.42) 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