SCHEMBL10046311

SCHEMBL10046311

Nc1cnc2c(-c3cccs3)sc(-c3cccs3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 4/20 0.43
NPC1 O15118 4/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX2 P34913 1/20 0.42
DHFR P00374 1/20 0.41
RAB9A P51151 3/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40

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
SCHEMBL9927348 0.80 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL14351350 0.77 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL1086309 0.73 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL1198942 0.72 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4ECYP3A4
SCHEMBL23931338 0.71 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL956185 0.71 ALDH1A1 (0.52) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL3071364 0.69 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL1644280 0.69 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL12902813 0.69 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL971379 0.69 ALDH1A1 (0.49) MEN1KMT2AALDH1A1KDM4EHSD17B10

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-8154787-B2 Electrochromic materials UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed