SCHEMBL9211552

SCHEMBL9211552

CSc1ccc(CN=C(NC#N)c2ccncc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
P2RX7 Q99572 1/20 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
SCHEMBL9211361 1.00 NAMPT (0.42) NAMPTSMN1; SMN2P2RX7
SCHEMBL9218918 0.77 NAMPT (0.51) NAMPT
SCHEMBL9218915 0.77 NAMPT (0.51) NAMPT
SCHEMBL9211368 0.75 MLLT3 (0.43) SMN1; SMN2
SCHEMBL9740437 0.75 GRIN2B (0.47) SMN1; SMN2
SCHEMBL9740441 0.75 GRIN2B (0.47) SMN1; SMN2
SCHEMBL9218835 0.71 NAMPT (0.46) NAMPTSMN1; SMN2P2RX7
SCHEMBL9213979 0.71 NAMPT (0.46) NAMPTSMN1; SMN2P2RX7
SCHEMBL9214851 0.70 NAMPT (0.45) NAMPT
SCHEMBL9214847 0.70 NAMPT (0.45) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP claimed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US claimed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP claimed
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed