SCHEMBL6178491

SCHEMBL6178491

COc1ccc(F)cc1NC(=O)c1cccnc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.74
MAPK1 P28482 1/20 0.74
SMN1; SMN2 Q16637 4/20 0.65
TSHR P16473 2/20 0.65
POLB P06746 1/20 0.65
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 3/20 0.63
HTT P42858 1/20 0.62
TP53 P04637 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
CYP1A2 P05177 1/20 0.57
HPGD P15428 1/20 0.57
AAK1 Q2M2I8 2/20 0.56
HDAC1 Q13547 1/20 0.56
ABCB1 P08183 1/20 0.55

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
SCHEMBL29158025 0.90 SMN1; SMN2 (0.76) MAPTMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL11196639 0.86 SMN1; SMN2 (0.81) MAPTMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL4651272 0.85 MAPT (1.00) MAPTMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL29989633 0.85 MAPT (1.00) MAPTMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL6173619 0.84 MAPK1 (0.72) MAPTMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL25263135 0.82 MAPK1 (0.69) MAPTMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL25306797 0.81 MAPK1 (0.68) MAPTMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL30908553 0.81 GAA (0.64) MAPTKMT2AGAANPC1RAB9A
SCHEMBL14062228 0.80 GAA (0.76) MAPTSMN1; SMN2TSHRPOLBGAA
SCHEMBL29393380 0.80 GAA (0.76) MAPTSMN1; SMN2TSHRPOLBGAA

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-1575918-A2 SUBSTITUTED BIARYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-09-21 EP claimed
WO-2004056774-A2 SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-07-08 WO claimed