SCHEMBL10740448

SCHEMBL10740448

CCOc1cc(SC)ccc1-c1nc2nccnc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 10/20 0.45
▸ METAP2 P50579 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ PDE4A P27815 6/20 0.36
▸ PDE4B Q07343 6/20 0.36
▸ PDE4C Q08493 6/20 0.36
▸ PDE4D Q08499 6/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ GUSB P08236 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL10673882 0.88 PDE2A (0.48) PDE5AMETAP2METAP1PDE2AMAPT
SCHEMBL10740468 0.86 METAP2 (0.35) PDE5AMETAP2METAP1PDE4APDE4B
SCHEMBL10734778 0.86 METAP2 (0.35) PDE5AMETAP2METAP1PDE4APDE4B
SCHEMBL10740356 0.86 METAP2 (0.35) PDE5AMETAP2METAP1PDE4APDE4B
SCHEMBL10735410 0.84 PDE5A (0.48) PDE5AMETAP2METAP1PDE4APDE4B
SCHEMBL10736587 0.81 PDE2A (0.56) PDE5AMETAP2METAP1PDE4APDE4B
SCHEMBL10742403 0.81 METAP2 (0.42) PDE5AMETAP2METAP1PDE2ATEK
SCHEMBL10740323 0.81 METAP2 (0.42) PDE5AMETAP2METAP1PDE2AMAPT
SCHEMBL10741190 0.80 PDE5A (0.43) PDE5AMETAP2METAP1PDE2AMAPT
SCHEMBL10744010 0.80 PDE2A (0.46) PDE5AMETAP2METAP1PDE4APDE4B

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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