SCHEMBL11274615

SCHEMBL11274615

O=c1ccc2cc(OCCCCSc3ccc([N+](=O)[O-])cc3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PDE5A O76074 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
PTAFR P25105 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PMP22 Q01453 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE1C Q14123 1/20 0.42
PDE3A Q14432 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CRBN Q96SW2 1/20 0.38

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
SCHEMBL11270533 0.84 KDM4E (0.44) ALDH1A1MEN1KMT2AKDM4EPDE5A
SCHEMBL11282334 0.84 PDE3B (0.44) ALDH1A1MEN1KMT2AKDM4EPDE5A
SCHEMBL11276023 0.84 F11 (0.50) ALDH1A1MEN1KMT2AKDM4EPDE5A
SCHEMBL11268673 0.84 KDM4E (0.46) ALDH1A1MEN1KMT2AKDM4EPDE5A
SCHEMBL11284124 0.82 PDE3A (0.43) ALDH1A1MEN1KMT2AKDM4EPDE5A
SCHEMBL11270806 0.82 PDE3B (0.47) ALDH1A1MEN1KMT2AKDM4EPDE5A
SCHEMBL10925920 0.81 MCL1 (0.46) ALDH1A1MEN1KMT2AKDM4EPDE5A
SCHEMBL11275791 0.81 MEN1 (0.41) ALDH1A1MEN1KMT2AKDM4EPDE5A
Nitrobenzene SCHEMBL11274618 0.80 CTSV (0.42) ALDH1A1MEN1KMT2AKDM4EPDE5A
SCHEMBL10927340 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4EPDE5A

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