SCHEMBL13480583

SCHEMBL13480583

CCNC(=O)Nc1ccccc1SC

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.63
MEN1 O00255 11/20 0.63
GAA P10253 2/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 9/20 0.57
RAB9A P51151 7/20 0.57
NPC1 O15118 4/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 4/20 0.55
PKM P14618 1/20 0.54
TP53 P04637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL17265371 0.82 KMT2A (0.58) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL8350627 0.80 SMN1; SMN2 (0.70) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL1951110 0.79 GAA (0.61) KMT2AMEN1GAAPOLBMAPT
SCHEMBL11911371 0.79 ITGB3 (0.70) KMT2AMEN1GAAPOLBRAB9A
SCHEMBL6857302 0.77 KMT2A (0.65) KMT2AMEN1GAAPOLBMAPT
SCHEMBL8179307 0.77 KMT2A (0.52) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL2433522 0.77 CASR (0.67) KMT2AMEN1POLBMAPTLMNA
SCHEMBL13480553 0.77 TAS1R3 (0.60) KMT2AMEN1GAARAB9ANPC1
SCHEMBL13480592 0.77 GAA (0.59) GAAPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL13480591 0.77 GAA (0.59) KMT2AMEN1GAAPOLBMAPT

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-7662910-B2 Inhibitors for the soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-16 US disclosed