SCHEMBL6919183

SCHEMBL6919183

C#CC(=O)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
ALDH1A1 P00352 2/20 0.59
GLA P06280 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
PAX8 Q06710 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TRPM8 Q7Z2W7 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
PDK1 Q15118 1/20 0.49
TSPO P30536 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46

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
SCHEMBL1927016 0.82 ALDH1A1 (0.69) NPC1ALDH1A1GLAHTTRAB9A
SCHEMBL17666028 0.81 PSMB5 (0.44) NPC1ALDH1A1GLAHTTRAB9A
SCHEMBL26293242 0.81 LMNA (0.52) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL28926571 0.81 NPC1 (0.54) NPC1ALDH1A1GLAHTTRAB9A
SCHEMBL28630847 0.80 HTT (0.46) NPC1ALDH1A1GLAHTTRAB9A
SCHEMBL1921083 0.78 NPC1 (0.59) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL8128368 0.77 ALDH1A1 (0.44) NPC1ALDH1A1GLAHTTRAB9A
SCHEMBL10921379 0.77 ALDH1A1 (0.62) NPC1ALDH1A1GLAHTTRAB9A
Carbamic Acid SCHEMBL6468271 0.77 NPC1 (0.62) NPC1ALDH1A1GLAHTTRAB9A
SCHEMBL5694553 0.77 TSPO (0.72) NPC1ALDH1A1GLAHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149072-B1 SULFONAMIDE HYDROXAMATES HOFFMANN LA ROCHE (CH) 2004-06-30 EP claimed