SCHEMBL8106937

SCHEMBL8106937

NC(=O)NOCCCc1cn(CCCc2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LMNA P02545 1/20 0.43
EPHX2 P34913 1/20 0.39
CPB2 Q96IY4 2/20 0.39
CPB1 P15086 1/20 0.39
NR3C2 P08235 1/20 0.38
FFAR1 O14842 1/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LPAR1 Q92633 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL8105190 0.88 KDM5A (0.41) LMNAEPHX2CPB2NR3C2ADRB1
SCHEMBL27704855 0.80 LMNA (0.64) HDAC6LMNAEPHX2NR3C2FFAR1
SCHEMBL8105536 0.79 CPB2 (0.51) LMNACPB2CPB1
SCHEMBL8115059 0.78 HDAC1 (0.38) CPB2ADRB1ADRB3
SCHEMBL8114360 0.78 CPB2 (0.36) CPB2CPB1ADRB1ADRB3
SCHEMBL8114232 0.77 NAMPT (0.38) HDAC6LMNAEPHX2CPB2CPB1
SCHEMBL8105703 0.75 CPB2 (0.43) CPB2CPB1
SCHEMBL8106477 0.75 NR3C2 (0.42) HDAC6CPB1NR3C2SMN1; SMN2
SCHEMBL8119935 0.74 KDM5A (0.42) LMNACPB2CPB1NR3C2
SCHEMBL8115902 0.74 KDM5A (0.42) LMNACPB2CPB1NR3C2

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 3 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