SCHEMBL5199263

SCHEMBL5199263

CCn1c(-c2cc3ccccc3[nH]2)nc(-c2ccncc2)c1-c1ccc(Cl)cc1.O=C(C(=NO)c1ccncc1)c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP3 P42574 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
KDR P35968 1/20 0.36
FABP4 P15090 2/20 0.35
GCGR P47871 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TEK Q02763 1/20 0.34

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
SCHEMBL5199254 1.00 NPC1 (0.37) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL5200686 0.86 KDM4E (0.49) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL5197710 0.83 KMT2A (0.48) MEN1ALDH1A1MAPTKMT2AFABP4
SCHEMBL5197704 0.83 KMT2A (0.48) MEN1ALDH1A1MAPTKMT2AFABP4
SCHEMBL5196158 0.78 LSS (0.34) NPC1RAB9AALDH1A1HPGDCYP2C19
SCHEMBL5200281 0.77 LSS (0.33) NPC1RAB9AALDH1A1HPGDCYP2C19
SCHEMBL5197840 0.74 MAOB (0.37) MEN1MAPTKMT2ASMN1; SMN2MAPK14
SCHEMBL5197836 0.74 MAOB (0.37) MEN1MAPTKMT2ASMN1; SMN2MAPK14
SCHEMBL5330737 0.72 CNR1 (0.39) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL5198712 0.71 TEK (0.48) KDM4EMEN1ALDH1A1KMT2AFABP4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846389-A1 IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-24 EP disclosed
WO-2006082002-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed