SCHEMBL7603799

SCHEMBL7603799

O=C(Cl)CCc1ccc(N=C=S)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.63
HSD17B10 Q99714 1/20 0.45
CHRM1 P11229 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MIF P14174 3/20 0.39
NAAA Q02083 1/20 0.39
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX12 P18054 1/20 0.38
TSHR P16473 1/20 0.36
FFAR1 O14842 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
SCHEMBL1094429 0.84 P2RY6 (0.66) P2RY6HSD17B10CA1CA2MIF
SCHEMBL7686608 0.83 P2RY6 (0.63) P2RY6HSD17B10CHRM1GRIN1GRIN2A
SCHEMBL9547715 0.79 P2RY6 (1.00) P2RY6HSD17B10CHRM1CA1CA2
SCHEMBL1853024 0.79 P2RY6 (1.00) P2RY6HSD17B10CHRM1CA1CA2
SCHEMBL9135914 0.79 FFAR1 (0.50) HSD17B10CA1CA2CYP3A4TP53
SCHEMBL3763772 0.79 P2RY6 (0.58) P2RY6HSD17B10NAAA
SCHEMBL3397221 0.78 P2RY6 (0.61) P2RY6HSD17B10MIFNAAACYP1A2
SCHEMBL8503279 0.76 P2RY6 (0.76) P2RY6HSD17B10CHRM1GRIN1GRIN2A
SCHEMBL347652 0.74 P2RY6 (0.79) P2RY6HSD17B10CHRM1GRIN1GRIN2A
SCHEMBL9785601 0.73 P2RY6 (0.70) P2RY6HSD17B10CHRM1GRIN1GRIN2A

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
EP-0624377-B1 Lysosomal enzyme-cleavable antitumor drug conjugates BRISTOL MYERS SQUIBB CO (US) 2002-01-23 EP disclosed
US-6132697-A RADIOACTIVE MATERIAL DRUGS G. D. SEARLE & CO. (US) 2000-10-17 US disclosed