SCHEMBL7285594

SCHEMBL7285594

CC(C)=CCCC(C)=CCN1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
ALDH1A1 P00352 3/20 0.56
RECQL P46063 1/20 0.56
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALOX15 P16050 3/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.44
UGT1A1 P22309 1/20 0.44
SQLE Q14534 6/20 0.43
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7285585 1.00 KMT2A (0.56) KMT2AMEN1ALDH1A1RECQLLMNA
SCHEMBL11449012 1.00 KMT2A (0.56) KMT2AMEN1ALDH1A1RECQLLMNA
SCHEMBL11485915 0.98 KMT2A (0.58) KMT2AMEN1ALDH1A1RECQLLMNA
Bromide SCHEMBL31087538 0.89 KMT2A (0.49) KMT2AMEN1ALDH1A1RECQLLMNA
Hydrochloric Acid SCHEMBL31087540 0.89 KMT2A (0.49) KMT2AMEN1ALDH1A1RECQLLMNA
SCHEMBL31632707 0.84 KMT2A (0.54) KMT2AMEN1ALDH1A1ALOX15CYP3A4
SCHEMBL20501916 0.84 KMT2A (0.54) KMT2AMEN1ALDH1A1ALOX15CYP3A4
SCHEMBL9404145 0.83 GBA1 (0.43) KMT2AMEN1ALDH1A1RECQLLMNA
SCHEMBL20414120 0.82 KMT2A (0.52) KMT2AMEN1ALDH1A1ALOX15CYP3A4
SCHEMBL11548663 0.82 KMT2A (0.52) KMT2AMEN1ALDH1A1ALOX15CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5306719-A Cardiotonic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0255134-B1 CARBOSTYRIL DERIVATIVES AND SALTS THEREOF, PROCESS FOR PREPARING THEM, AND CARDIOTONIC COMPOSITION CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
US-5071856-A CARBOSTYRIL DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-10 US disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
US-4845100-A WITH HYPOTENSIVE AND ANTIINFLAMMATORY ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-04 US disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 EP disclosed
EP-0202760-A2 Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-11-26 EP disclosed
US-4213984-A ANTIULCER AGENTS, ANTISECRETORY AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1980-07-22 US disclosed