SCHEMBL11272206

SCHEMBL11272206

Cc1cc(=O)[nH]c2ccc(OCCCCBr)cc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
PDE3B Q13370 10/20 0.47
PDE3A Q14432 10/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARA Q07869 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
AR P10275 1/20 0.43
GLA P06280 1/20 0.42

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
SCHEMBL11068508 0.86 LMNA (0.54) LMNAPDE3BPDE3AKDM4EALDH1A1
SCHEMBL19242935 0.81 KDM4E (0.66) LMNAPDE3BPDE3AKDM4EALDH1A1
SCHEMBL5737176 0.80 KDM4E (0.48) LMNAKDM4EALDH1A1HSD17B10TSHR
SCHEMBL11277251 0.80 KDM4E (0.46) LMNAPDE3BPDE3AKDM4EALDH1A1
Pyridine SCHEMBL11278813 0.78 PDE3B (0.42) LMNAPDE3BPDE3AKDM4EALDH1A1
SCHEMBL11272074 0.78 PDE3B (0.54) LMNAPDE3BPDE3AKDM4EPPARA
SCHEMBL27521128 0.77 KDM4E (0.46) LMNAPDE3BPDE3AKDM4EALDH1A1
SCHEMBL7802190 0.77 PDE3B (0.51) LMNAPDE3BPDE3AKDM4EALDH1A1
SCHEMBL11281640 0.77 POLB (0.42) LMNAPDE3BPDE3AKDM4EALDH1A1
SCHEMBL11273753 0.76 TNKS2 (0.47) LMNAPDE3BPDE3AKDM4EALDH1A1

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