SCHEMBL8552744

SCHEMBL8552744

CC(C)(C)OC(=O)C1Cc2ccsc2CN1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 2/20 0.33
HDAC8 Q9BY41 1/20 0.32
DPP4 P27487 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL24184649 0.87 KMT2A (0.48) KMT2AALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL7979855 0.87 KMT2A (0.48) KMT2AALDH1A1KDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL9789720 0.85 KMT2A (0.47) KMT2AALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL7966594 0.79 EGLN1 (0.47) KMT2AGAAMAPT
SCHEMBL21899389 0.79 EGLN1 (0.47) KMT2AGAAMAPT
SCHEMBL10759519 0.78 KMT2A (0.35) KMT2AALDH1A1
SCHEMBL9470893 0.78 MEN1 (0.44) KMT2AALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL5967579 0.78 MEN1 (0.44) KMT2AALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL30377560 0.78 MEN1 (0.44) KMT2AALDH1A1KDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL11356030 0.77 EGLN1 (0.46) KMT2AGAAMAPT

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-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5698692-A INHIBIT BINDING BETWEEN PLATELET MEMBRANE GLYCOPROTEIN AND FIBRINOGEN MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-12-16 US disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed