SCHEMBL9035835

SCHEMBL9035835

COC(=O)[C@@H]1CSC[C@H](C)N1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM3 P20309 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL9035842 1.00 KMT2A (0.40) KMT2ACHRNB2CHRNA4KDM4ETSHR
SCHEMBL8377074 1.00 KMT2A (0.40) KMT2ACHRNB2CHRNA4KDM4ETSHR
SCHEMBL4216297 0.88 KMT2A (0.44) KMT2ACHRNB2CHRNA4KDM4ETSHR
SCHEMBL9777782 0.78 BLM (0.42) KMT2AKDM4ETSHRHTTHSD17B10
SCHEMBL6570119 0.78 BLM (0.42) KMT2AKDM4ETSHRHTTHSD17B10
SCHEMBL16635019 0.77
SCHEMBL7851396 0.77 KMT2A (0.37) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL27563591 0.77 KMT2A (0.37) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL11358106 0.76 KMT2A (0.42) KMT2ACHRNB2CHRNA4KDM4ETSHR
SCHEMBL3587732 0.74 TSHR (0.40) KMT2ACHRNB2CHRNA4KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed