SCHEMBL9840371

SCHEMBL9840371

CC(N=C=S)c1ccc(N=C=S)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.62
P2RY6 Q15077 3/20 0.45
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TRPA1 O75762 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
HSD17B10 Q99714 2/20 0.35
PNMT P11086 1/20 0.34
RAD1 O60671 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LTA P01374 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
P2RX3 P56373 1/20 0.30
RAD51 Q06609 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8762285 0.87 MIF (0.78) MIFTRPA1TRPV1
SCHEMBL6664156 0.81 MIF (0.50) MIFP2RY6CA1CA2HSD17B10
SCHEMBL1022395 0.81 MIF (0.50) MIFP2RY6CA1CA2HSD17B10
SCHEMBL18398873 0.78 MIF (0.62) MIFCA1CA2ALDH1A1MAPT
SCHEMBL20422083 0.78 MIF (0.62) MIFCA1CA2ALDH1A1MAPT
SCHEMBL3903225 0.78 P2RY6 (0.47) MIFP2RY6CA1CA2HSD17B10
SCHEMBL1457324 0.78 MIF (0.64) MIFTRPA1TRPV1
SCHEMBL3923883 0.78 MIF (0.64) MIFTRPA1TRPV1
1-Phenylethyl Isothiocyanate SCHEMBL3795180 0.77 MIF (1.00) MIFTRPA1TRPV1HSD17B10KDM4E
1-Phenylethyl Isothiocyanate SCHEMBL3792824 0.77 MIF (1.00) MIFTRPA1TRPV1HSD17B10KDM4E

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-5011861-A Containing functional groups capable of bonding peptides and proteins MILLIPORE CORPORATION (US) 1991-04-30 US disclosed
EP-0353460-A2 Membranes for solid phase protein sequencing MILLIPORE CORPORATION (US) 1990-02-07 EP disclosed