SCHEMBL5746437

SCHEMBL5746437

CSc1nccc(C(C=O)c2cccc(OCc3ccccn3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR132 Q9UNW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PLAT P00750 1/20 0.35
PTPN1 P18031 1/20 0.35
MAOA P21397 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
MAPT P10636 1/20 0.35
PARP10 Q53GL7 1/20 0.34
HTR5A P47898 1/20 0.34
DHODH Q02127 1/20 0.34
TRPA1 O75762 1/20 0.34
FFAR1 O14842 1/20 0.34
ABCB1 P08183 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
SCHEMBL5745770 0.88 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2AMAOA
SCHEMBL6443197 0.83 CNR1 (0.43) TLR4TLR2SMN1; SMN2MEN1KMT2A
SCHEMBL6444773 0.83 NPC1 (0.47) TLR4TLR2SMN1; SMN2KMT2AMAOA
SCHEMBL6441296 0.82 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAOA
SCHEMBL5747030 0.82 GPR132 (0.43) GPR132
SCHEMBL6440316 0.81 SMPD1 (0.41) SMN1; SMN2KMT2AMAOA
SCHEMBL6443205 0.78 MAPK9 (0.34) KDM4EMEN1KMT2AMAPTHTR1A
SCHEMBL7253009 0.78 MEN1 (0.41) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6025036 0.76 GAA (0.38) SMN1; SMN2MEN1KMT2A
SCHEMBL6024314 0.76 MAPK9 (0.34) ALDH1A1MEN1KMT2AMAPT

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-1675848-A1 NOVEL TRIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-05 EP disclosed
WO-2005040153-A1 NOVEL TRIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed