SCHEMBL210763

SCHEMBL210763

CS(=O)(=O)c1ccc2nc(NC=O)sc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.64
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
HPGD P15428 1/20 0.64
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
ACP1 P24666 1/20 0.61
CLK1 P49759 3/20 0.58
KDM4E B2RXH2 3/20 0.58
MAPT P10636 1/20 0.58
TP53 P04637 2/20 0.57
TSHR P16473 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
POLB P06746 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
HSD17B10 Q99714 1/20 0.56
GAA P10253 1/20 0.56
RECQL P46063 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL3711380 0.86 NPC1 (0.49) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL4749080 0.83 NPC1 (0.67) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL29974741 0.82 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL28878439 0.82 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL28217860 0.80 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL14189675 0.80 NPC1 (0.61) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL15376878 0.80 ALDH1A1 (0.74) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL25464674 0.77 RAB9A (0.60) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL3022069 0.77 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL211763 0.77 NPC1 (0.64) ALDH1A1MEN1KMT2AHPGDNPC1

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
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed