SCHEMBL12599166

SCHEMBL12599166

CNCCc1ccc(N=C=S)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 2/20 0.68
▸ TAAR1 Q96RJ0 7/20 0.50
▸ TMEM97 Q5BJF2 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ ATM Q13315 2/20 0.48
▸ MIF P14174 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ GMNN O75496 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL1853024 0.82 P2RY6 (1.00) P2RY6MIFTSHRHSD17B10TP53
SCHEMBL9547715 0.82 P2RY6 (1.00) P2RY6MIFTSHRHSD17B10TP53
SCHEMBL5186242 0.79 P2RY6 (0.76) P2RY6MIFTSHRHSD17B10TP53
SCHEMBL14579478 0.78 KDM4E (0.58) P2RY6MAPTHSD17B10HIF1AKDM4E
SCHEMBL1193625 0.78 P2RY6 (0.74) P2RY6MIFTSHRHSD17B10CYP1A2
SCHEMBL9547731 0.78 P2RY6 (0.74) P2RY6MIFTSHRHSD17B10CYP1A2
SCHEMBL25937139 0.77 P2RY6 (0.61) P2RY6MIFMAPTTSHRHSD17B10
SCHEMBL10156581 0.77 TAAR1 (0.76) TAAR1TMEM97SIGMAR1ATMMAPT
SCHEMBL347652 0.76 P2RY6 (0.79) P2RY6MIFTSHRHSD17B10TP53
SCHEMBL1457664 0.76 P2RY6 (0.70) P2RY6MIFHSD17B10TP53HIF1A

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-20110111388-A1 METHOD FOR THE SENSITIVE DETECTION OF POLYAMINO ACIDS AND OTHER MACRO-MOLECULES XYNTEC CHEMIE GMBH WOLFEN (DE) 2011-05-12 — — US disclosed
US-20110111388-A1 METHOD FOR THE SENSITIVE DETECTION OF POLYAMINO ACIDS AND OTHER MACRO-MOLECULES XYNTEC CHEMIE GMBH WOLFEN (DE) 2011-05-12 — — US disclosed
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