SCHEMBL11280760

SCHEMBL11280760

CC(=O)Nc1c(OCCCC[S+]([O-])c2ccccc2)ccc2[nH]c(=O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
TRPV1 Q8NER1 3/20 0.33
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
MAOA P21397 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32

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
SCHEMBL11276888 0.81 KDM4E (0.40) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL11285765 0.81 PDE3B (0.34) KDM4EALDH1A1MAPTATMLMNA
SCHEMBL11281611 0.80 POLB (0.39) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL11280547 0.79 MCL1 (0.39) KDM4EPOLBALDH1A1ATMLMNA
SCHEMBL11273854 0.79 CTSV (0.33) KDM4EALDH1A1ATMLMNATSHR
SCHEMBL11281640 0.70 POLB (0.42) KDM4EPOLBALDH1A1LMNATSHR
SCHEMBL10927018 0.70 KDM4E (0.44) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL11276789 0.69 CA12 (0.38) POLBDRD2DRD4DRD3MCL1
SCHEMBL11277267 0.69 DRD2 (0.49) DRD2DRD4DRD3
SCHEMBL11575470 0.68 AR (0.36) KDM4EKMT2AALDH1A1MAPTATM

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-0003771-B1 CARBOSTYRILE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1982-10-20 EP disclosed
US-4329347-A Cardiotonic and antithrombotic sulfur-containing derivatives of carbostyril BOEHRINGER INGELHEIM GMBH (DE) 1982-05-11 US disclosed
EP-0003771-A1 Carbostyrile derivatives, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1979-09-05 EP disclosed