SCHEMBL10740844

SCHEMBL10740844

C[S+]([O-])c1ccc(-c2nc3nccnc3[nH]2)c([S+](C)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.40
▸ METAP1 P53582 1/20 0.40
▸ PDE2A O00408 1/20 0.33
▸ PDE5A O76074 3/20 0.31
▸ AURKA O14965 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL10734514 0.87 METAP2 (0.40) METAP2METAP1PDE2APDE5AKDM4E
SCHEMBL10735148 0.86 PDE2A (0.46) METAP2METAP1PDE2APDE5AAURKA
SCHEMBL10739545 0.86 METAP2 (0.40) METAP2METAP1PDE2APDE5AAURKA
SCHEMBL10741407 0.84 PDE5A (0.44) METAP2METAP1PDE2APDE5AAURKA
SCHEMBL10737672 0.84 PDE2A (0.49) METAP2METAP1PDE2APDE5AAURKA
SCHEMBL10737735 0.82 PDE5A (0.39) METAP2METAP1PDE2APDE5AKDM4E
SCHEMBL10741757 0.81 METAP2 (0.34) METAP2METAP1PDE2APDE5AAURKA
SCHEMBL10742084 0.81 METAP2 (0.34) METAP2METAP1PDE2APDE5AAURKA
SCHEMBL10741968 0.81 METAP2 (0.34) METAP2METAP1PDE2APDE5AAURKA
SCHEMBL10737696 0.79 METAP2 (0.45) METAP2METAP1AURKA

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-4654344-A ALSO AFFECT BLOOD PRESSURE AND MYOCARDIAL CONTRACTIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-03-31 — — US disclosed
EP-0093951-B1 2-ARYL-TETRAAZAINDENES MERCK PATENT GmbH (DE) 1986-10-29 — — EP disclosed
US-4575505-A Pharmaceutical compositions containing 2-aryltetraazaindenes for treating ulcers or cardiac insufficiency or blood pressure abnormalities MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-03-11 — — US disclosed
US-4477454-A INDOTROPIC AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-16 — — US disclosed
EP-0093951-A2 2-Aryl-tetraazaindenes MERCK PATENT GmbH (DE) 1983-11-16 — — EP disclosed
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