SCHEMBL7616005

SCHEMBL7616005

COc1ccc(CNc2nc(-n3ccnc3C)nc3sc([N+](=O)[O-])cc23)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.46
BCDIN3D Q7Z5W3 2/20 0.39

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
SCHEMBL5115296 0.93 TNF (0.40)
SCHEMBL5120277 0.91 RAB9A (0.36) PDE5A
SCHEMBL5123316 0.88 BCDIN3D (0.42) PDE5ABCDIN3D
SCHEMBL5128407 0.88 BCDIN3D (0.42) PDE5ABCDIN3D
SCHEMBL5125266 0.85 PDE5A (0.48) PDE5ABCDIN3D
SCHEMBL5114702 0.85 BCDIN3D (0.41) PDE5ABCDIN3D
SCHEMBL5122244 0.85 PDE5A (0.46) PDE5ABCDIN3D
SCHEMBL5128625 0.84 PDE5A (0.44) PDE5A
SCHEMBL5128720 0.84 HTT (0.38) PDE5A
SCHEMBL5124878 0.84 PDE5A (0.45) PDE5A

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
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed