SCHEMBL11233387

SCHEMBL11233387

COc1cc(SC)ccc1-c1nc2ncncc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.48
PDE5A O76074 8/20 0.44
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AURKA O14965 1/20 0.43
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
ENPP1 P22413 1/20 0.41
NPY5R Q15761 1/20 0.38
TEK Q02763 2/20 0.37
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
Hydrochloric Acid SCHEMBL11272588 0.87 PDE5A (0.45) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL10959066 0.84 METAP2 (0.39) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL11237402 0.84 PDE2A (0.67) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL11009401 0.84 ENPP1 (0.43) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL11010105 0.84 ENPP1 (0.43) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL10691379 0.83 PDE2A (0.46) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL10762718 0.83 PDE2A (0.50) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL11356783 0.83 PDE2A (0.50) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL10749457 0.83 PDE2A (0.50) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL11012000 0.83 PDE2A (0.42) PDE2APDE5APDE3BPDE3AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024290-B1 8-PHENYL PURINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1982-12-22 EP claimed
US-4299834-A INOTROPIC ACTIVITY BOEHRINGER INGELHEIM GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-11-10 US claimed
EP-0024290-A1 8-Phenyl purines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-03-04 EP claimed
EP-0024290-B1 8-PHENYL PURINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1982-12-22 EP disclosed
US-4299834-A INOTROPIC ACTIVITY BOEHRINGER INGELHEIM GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-11-10 US disclosed
EP-0024290-A1 8-Phenyl purines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-03-04 EP disclosed