SCHEMBL1921083

SCHEMBL1921083

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
CA12 O43570 2/20 0.59
CA9 Q16790 2/20 0.59
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.53
HPGD P15428 2/20 0.51
RIPK1 Q13546 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
USP2 O75604 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
PYCR1 P32322 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MGLL Q99685 1/20 0.49
BLM P54132 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL26293242 0.81 LMNA (0.52) NPC1RAB9ACA12CA9KMT2A
SCHEMBL180384 0.80 NPC1 (0.73) NPC1RAB9ACA12CA9KMT2A
SCHEMBL3095761 0.78 NPC1 (0.70) NPC1RAB9ACA12CA9KMT2A
Hydrochloric Acid SCHEMBL11786759 0.78 NPC1 (0.70) NPC1RAB9ACA12CA9KMT2A
SCHEMBL6919183 0.78 NPC1 (0.59) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5769172 0.77 NPSR1 (0.64) NPC1RAB9ACA12CA9KMT2A
SCHEMBL425164 0.76 NPC1 (0.68) NPC1RAB9ACA12CA9KMT2A
SCHEMBL967363 0.76 NPC1 (0.68) NPC1RAB9ACA12CA9KMT2A
SCHEMBL5639640 0.76 NPC1 (0.67) NPC1RAB9ACA12CA9KMT2A
SCHEMBL968918 0.76 NPC1 (0.61) NPC1RAB9ACA12CA9KMT2A

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-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP claimed