SCHEMBL6573403

SCHEMBL6573403

O=[C]c1ccc(N=C=S)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.52
P2RY6 Q15077 3/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
HSD17B10 Q99714 4/20 0.43
CYP3A4 P08684 5/20 0.37
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 4/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 2/20 0.37
LTA P01374 2/20 0.37
MAPT P10636 2/20 0.37
P2RX3 P56373 2/20 0.37
RAD51 Q06609 2/20 0.37
RAD1 O60671 1/20 0.37
TSHR P16473 1/20 0.37
PNMT P11086 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33

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
Bitoscanate SCHEMBL157128 0.82 MIF (0.72) MIFP2RY6CA1CA2HSD17B10
SCHEMBL7562305 0.80 CYP3A4 (0.56) P2RY6CA1CA2CYP3A4ALDH1A1
SCHEMBL331404 0.80 MIF (0.56) MIFP2RY6CA1CA2HSD17B10
SCHEMBL786739 0.76 MIF (0.52) MIFP2RY6CA1CA2HSD17B10
SCHEMBL27662495 0.76 MIF (0.52) MIFP2RY6CA1CA2HSD17B10
SCHEMBL28228359 0.75 MIF (0.56) MIFP2RY6CA1CA2HSD17B10
SCHEMBL29088588 0.74 P2RY6 (0.50) MIFP2RY6CA1CA2HSD17B10
SCHEMBL1548531 0.74 MIF (0.62) MIFP2RY6CA1CA2HSD17B10
Bitoscanate SCHEMBL8443297 0.73 CA1 (0.63) MIFP2RY6CA1CA2HSD17B10
SCHEMBL2217784 0.73 MIF (0.67) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816364-B1 Reagents for lysergic acid diethylamide immunoassay HOFFMANN LA ROCHE (CH) 2004-01-02 EP claimed
WO-2003047515-A2 P2X7 RECEPTOR ANTAGONISTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-06-12 WO claimed
EP-0220899-B1 BIFUNCTIONAL LINKER Immunomedics, Inc. (US) 1992-03-11 EP claimed
WO-2003047515-A2 P2X7 RECEPTOR ANTAGONISTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-06-12 WO disclosed
US-5013547-A Anticancer drug - antibody conjugates and method for preparing same ERBAMONT, INC. (US) 1991-05-07 US disclosed