SCHEMBL6764104

SCHEMBL6764104

S=C=Nc1ccc(N(c2ccc(N=C=S)cc2)c2ccc(N=C=S)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.54
P2RY6 Q15077 3/20 0.54
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
HSD17B10 Q99714 5/20 0.40
PNMT P11086 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CYP3A4 P08684 5/20 0.34
ALDH1A1 P00352 5/20 0.34
TDP1 Q9NUW8 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 3/20 0.34
USP2 O75604 2/20 0.34
LTA P01374 2/20 0.34
P2RX3 P56373 2/20 0.34
RAD51 Q06609 2/20 0.34
RAD1 O60671 1/20 0.34
CYP1A2 P05177 3/20 0.32

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
SCHEMBL16707598 0.91 MIF (0.64) MIFP2RY6CA1CA2HSD17B10
SCHEMBL16707567 0.91 MIF (0.64) MIFP2RY6CA1CA2HSD17B10
Bitoscanate SCHEMBL157128 0.84 MIF (0.72) MIFP2RY6CA1CA2HSD17B10
SCHEMBL249847 0.81 ALDH1A1 (0.52) MIFP2RY6CA1CA2HSD17B10
SCHEMBL1456966 0.81 P2RY6 (0.50) MIFP2RY6CA1CA2HSD17B10
SCHEMBL2467692 0.76 ALDH1A1 (0.59) MIFP2RY6CA2HSD17B10ALDH1A1
SCHEMBL671704 0.76 ALDH1A1 (0.59) MIFP2RY6CA2HSD17B10ALDH1A1
SCHEMBL1548531 0.76 MIF (0.62) MIFP2RY6CA1CA2HSD17B10
SCHEMBL3163386 0.75 CYP3A4 (0.54) HSD17B10GABRA1GABRB2CYP3A4ALDH1A1
SCHEMBL14344845 0.74 MIF (0.59) MIFP2RY6CA1CA2HSD17B10

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-6720185-B2 STEREOSCOPIC NISSHIN SEIFUN GROUP INC. (JP) 2004-04-13 US disclosed
US-20030180956-A1 Method for analysis of the textural structure of food of a multi-component dispersion system NISSHIN SEIFUN GROUP INC. (JP) 2003-09-25 US disclosed