SCHEMBL3291990

SCHEMBL3291990

S=C=Nc1ccc(Cc2ccc(N=C=S)cc2Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 4/20 0.44
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
MIF P14174 1/20 0.39
PNMT P11086 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
CYP3A4 P08684 4/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 2/20 0.36
LTA P01374 2/20 0.36
HPGD P15428 2/20 0.36
P2RX3 P56373 2/20 0.36
RAD51 Q06609 2/20 0.36
RAD1 O60671 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL28941324 0.85 P2RY6 (0.41) P2RY6TDP1MAPK1MIFPNMT
SCHEMBL348956 0.85 P2RY6 (0.41) P2RY6TDP1MAPK1MIFPNMT
SCHEMBL19277835 0.85 P2RY6 (0.41) P2RY6TDP1MAPK1MIFPNMT
SCHEMBL28964039 0.82 P2RY6 (0.47) P2RY6TDP1MAPK1MIFPNMT
SCHEMBL1021195 0.81 MAPK1 (0.66) TDP1MAPK1GABRA1GABRB2CYP3A4
SCHEMBL1052023 0.79 TDP1 (0.63) P2RY6TDP1MAPK1MIFPNMT
SCHEMBL29976261 0.79 TDP1 (0.63) P2RY6TDP1MAPK1MIFPNMT
SCHEMBL1548629 0.77 P2RY6 (0.44) P2RY6TDP1MIFPNMTGABRA1
SCHEMBL9547696 0.77 P2RY6 (0.44) P2RY6TDP1MIFPNMTGABRA1
SCHEMBL17289576 0.76 TDP1 (0.44) P2RY6TDP1MAPK1MIFPNMT

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
US-7727434-B2 Membranes and methods of treating membranes GENERAL ELECTRIC COMPANY (US) 2010-06-01 US disclosed
US-20070039874-A1 Membranes and methods of treating membranes GENERAL ELECTRIC COMPANY 2007-02-22 US disclosed