SCHEMBL9730653

SCHEMBL9730653

Cc1ccccc1C[C@H](CS)C(=O)N[C@H]1CCNC(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.40
ACE P12821 6/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM1A O60341 1/20 0.37
MMP1 P03956 1/20 0.36
MMP7 P09237 1/20 0.36
HPGD P15428 2/20 0.36
OPRL1 P41146 1/20 0.35
MME P08473 3/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
ECE1 P42892 1/20 0.35
BLM P54132 1/20 0.35
NPEPPS P55786 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
SCHEMBL9732351 0.95 KMT2A (0.39) ALDH2ACEKMT2AMEN1ALDH1A1
SCHEMBL9730881 0.85 ALDH1A1 (0.39) ALDH2ACEKMT2AMEN1ALDH1A1
SCHEMBL9730825 0.81 HPGD (0.39) ALDH2KMT2AMEN1ALDH1A1KDM1A
SCHEMBL23573535 0.67 KDM1A (0.41) ALDH2KMT2AKDM1AOPRL1
SCHEMBL390634 0.66 MME (0.46) ACEKMT2AMEN1ALDH1A1HPGD
SCHEMBL29445859 0.66 MME (0.46) ACEKMT2AMEN1ALDH1A1HPGD
SCHEMBL28706326 0.66 MME (0.46) ACEKMT2AMEN1ALDH1A1HPGD
SCHEMBL1114718 0.65 CA1 (0.41) MMP1
SCHEMBL27258760 0.65 MTNR1A (0.44) ALDH2ALDH1A1KDM1AOPRL1
SCHEMBL8315751 0.65 KCNQ2 (0.44) ALDH1A1HPGD

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-0518943-A1 MERCAPTOACYL AMINOLACTAM ENDOPEPTIDASE INHIBITORS SCHERING CORPORATION (US) 1992-12-23 EP claimed
US-5075302-A Treating hypertension, congestive heart failure SCHERING CORPORATION (US) 1991-12-24 US claimed
WO-1991013870-A1 MERCAPTOACYL AMINOLACTAM ENDOPEPTIDASE INHIBITORS SCHERING CORPORATION (US) 1991-09-19 WO claimed