SCHEMBL3640239

SCHEMBL3640239

CS(=O)(=O)c1ccc(NC(=O)CC2CCCCN2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.49
KHK P50053 1/20 0.48
RORC P51449 2/20 0.47
KMT2A Q03164 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
EPHX2 P34913 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TGM2 P21980 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL13766425 0.82 SMN1; SMN2 (0.57) ADORA2AKHKKMT2ARAB9ANPC1
SCHEMBL2029199 0.81 EPHX2 (0.61) ADORA2AKHKKMT2ARAB9ANPC1
SCHEMBL7259516 0.81 EPHX2 (0.61) ADORA2AKHKKMT2ARAB9ANPC1
SCHEMBL13762191 0.81 ADORA2A (0.53) ADORA2AKHKKMT2ARAB9ANPC1
SCHEMBL7738145 0.80 MITF (0.54) ADORA2AKHKRORCKMT2ARAB9A
SCHEMBL3637312 0.78 RAB9A (0.50) KHKRORCKMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL31148097 0.77 ULK1 (0.50) KMT2AMEN1TGM2HTTNPSR1
Acetic Acid SCHEMBL27852928 0.74 POLB (0.56) KMT2A
SCHEMBL13766292 0.73 SMN1; SMN2 (0.58) KHKKMT2ANPC1EPHX2MAPK1
SCHEMBL2096759 0.73 EPHX1 (0.48) ADORA2AKHKKMT2AMAPK1MEN1

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-2164491-A1 PIPERIDINE-4-ACETIC ACID DERIVATIVES AND THEIR USE Euroscreen S.A. (BE) 2010-03-24 EP disclosed
WO-2009010477-A1 PIPERIDINE-4-ACETIC ACID DERIVATIVES AND THEIR USE EUROSCREEN S.A. (BE) 2009-01-22 WO disclosed