SCHEMBL1968945

SCHEMBL1968945

C=Cc1ccc(-c2nnc(NC(=O)c3ccccc3)s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 4/20 0.71
CSNK2A1 P68400 4/20 0.71
NPC1 O15118 9/20 0.67
RAB9A P51151 9/20 0.67
KMT2A Q03164 6/20 0.67
MEN1 O00255 5/20 0.67
ALDH1A1 P00352 3/20 0.67
RXFP1 Q9HBX9 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.62
KDM4E B2RXH2 2/20 0.62
TP53 P04637 2/20 0.55
GLA P06280 1/20 0.54
HSD17B10 Q99714 1/20 0.54
DDX3X O00571 1/20 0.53
SRC P12931 1/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
HDAC2 Q92769 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL1965024 0.88 CSNK2A2 (0.73) CSNK2A2CSNK2A1NPC1RAB9AKMT2A
SCHEMBL11480689 0.86 CSNK2A2 (0.83) CSNK2A2CSNK2A1NPC1RAB9AKMT2A
SCHEMBL1968590 0.81 SMN1; SMN2 (0.54) CSNK2A2CSNK2A1NPC1RAB9AKMT2A
SCHEMBL18292329 0.81 CSNK2A2 (0.74) CSNK2A2CSNK2A1NPC1RAB9AKMT2A
SCHEMBL12039939 0.77 NPC1 (0.48) CSNK2A2CSNK2A1NPC1RAB9AKMT2A
SCHEMBL9197688 0.74 PTPN1 (0.65) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL1966407 0.73 CSNK2A2 (0.60) CSNK2A2CSNK2A1NPC1RAB9AKMT2A
SCHEMBL28782500 0.73 RAB9A (0.67) CSNK2A2CSNK2A1NPC1RAB9AKMT2A
SCHEMBL18788945 0.72 NPC1 (0.67) CSNK2A2CSNK2A1NPC1RAB9AKMT2A
SCHEMBL3828303 0.72 NPC1 (0.71) CSNK2A2CSNK2A1NPC1RAB9AKMT2A

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-2334670-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES Almirall S.A. (ES) 2011-06-22 EP disclosed