SCHEMBL7285268

SCHEMBL7285268

CS(=O)(=O)OCCC(C#N)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
TRPA1 O75762 1/20 0.34
PBRM1 Q86U86 1/20 0.34
CCR1 P32246 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
MMP13 P45452 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C1 Q04828 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
SCHEMBL11044362 0.85 TRPA1 (0.37) ALDH1A1TSHRKDM4ELMNATRPA1
Alcohol SCHEMBL11044361 0.80 TSHR (0.37) ALDH1A1TSHRUSP2LMNATRPA1
SCHEMBL3391000 0.80 HRH1 (0.42) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL1554435 0.78 PBRM1 (0.41) ALDH1A1TSHRTRPA1PBRM1CCR1
SCHEMBL12406856 0.78 CYP1A2 (0.38) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL1546590 0.78 CYP1A2 (0.38) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL10472662 0.77 RIPK1 (0.46) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL28849791 0.77 ALDH1A1 (0.38) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL974206 0.76 RIPK1 (0.47) ALDH1A1KDM4ELMNA
SCHEMBL974205 0.76 RIPK1 (0.47) ALDH1A1KDM4ELMNA

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 5 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
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