SCHEMBL7309883

SCHEMBL7309883

CC1NC(c2cc[c]cc2)=NO1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 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
SCHEMBL8293222 0.79 ALDH1A1 (0.36) NISCH
SCHEMBL12984928 0.65
SCHEMBL1685395 0.64 NISCH (0.31) NISCH
SCHEMBL196583 0.59 ALDH1A1 (0.33)
SCHEMBL5059055 0.59 NISCH (0.39) NISCH
SCHEMBL1097893 0.58
SCHEMBL533283 0.57 NISCH (0.67) NISCH
SCHEMBL27721370 0.57 SCN5A (0.37)
SCHEMBL208526 0.57 ALDH1A1 (0.35)
SCHEMBL17200849 0.57 ALDH1A1 (0.35)

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-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 US claimed
US-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 US disclosed
EP-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed