SCHEMBL6441296

SCHEMBL6441296

C=CCOc1cccc(C(C=O)c2ccnc(SC)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
DUT P33316 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
MAOA P21397 1/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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 0.84 SMN1; SMN2 (0.45) MEN1KMT2AMAOAHTT
SCHEMBL5746437 0.82 TLR4 (0.41) ALDH1A1MEN1KMT2AMAOA
SCHEMBL6443197 0.82 CNR1 (0.43) GAAMEN1KMT2AMAOAHTT
SCHEMBL6444773 0.82 NPC1 (0.47) KMT2ANPC1RAB9AMAOACASR
SCHEMBL27550269 0.81 ALDH1A1 (0.39) ALDH1A1GAAMEN1KMT2ACHRNB2
SCHEMBL6440316 0.79 SMPD1 (0.41) KMT2ARAB9AMAOA
SCHEMBL6443205 0.78 MAPK9 (0.34) GAAMEN1KMT2AADRB2ADRB1
SCHEMBL6025036 0.78 GAA (0.38) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL6024314 0.78 MAPK9 (0.34) ALDH1A1GAAMEN1KMT2ANPC1
SCHEMBL6024760 0.78 MAPK9 (0.34) GAAMEN1KMT2ANPC1RAB9A

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-1499577-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-26 EP disclosed
WO-2003087026-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-23 WO disclosed