SCHEMBL6972092

SCHEMBL6972092

CCOC([S])c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.40
HTT P42858 2/20 0.39
HTR2A P28223 3/20 0.39
HRH1 P35367 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SCN1A P35498 3/20 0.38
SCN2A Q99250 3/20 0.38
SCN3A Q9NY46 3/20 0.38
MIF P14174 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL10663216 0.79 HTR2A (0.37) LMNAHTTHTR2AHRH1SMN1; SMN2
SCHEMBL10666352 0.79 HTR2A (0.37) LMNAHTTHTR2AHRH1SMN1; SMN2
SCHEMBL10659974 0.77 HTR2A (0.36) LMNAHTTHTR2AHRH1SMN1; SMN2
SCHEMBL10663765 0.77 TSHR (0.39) LMNAHTTHTR2AHRH1SMN1; SMN2
SCHEMBL27191 0.76 ACHE (0.47) L3MBTL1LMNAPOLBHTTHTR2A
SCHEMBL3992907 0.76 SCN1A (0.55) L3MBTL1LMNAPOLBHTTHTR2A
SCHEMBL10472525 0.76 SLC6A2 (0.47) HTTSMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL21243279 0.76 HTT (0.42) L3MBTL1LMNAPOLBHTTHTR2A
SCHEMBL20012560 0.74 L3MBTL1 (0.44) L3MBTL1LMNAPOLBHTTHTR2A
SCHEMBL11982736 0.74 L3MBTL1 (0.44) L3MBTL1LMNAPOLBHTTHTR2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-4728646-A ANTITHROMBOTICS DR. KARL THOMAE GMBH (DE) 1988-03-01 US disclosed
US-4518596-A Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines DR. KARL THOMAE GMBH (DE) 1985-05-21 US disclosed