SCHEMBL11547718

SCHEMBL11547718

C1CCC2CNCN=C2C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 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
SCHEMBL2367319 0.72 KCNH2 (0.34) NISCH
SCHEMBL3337457 0.70
SCHEMBL9847246 0.69 NISCH (0.34) NISCH
SCHEMBL6498120 0.69 NOS1 (0.39) NISCH
SCHEMBL14994142 0.69
SCHEMBL4613968 0.69 NISCH (0.35) NISCH
SCHEMBL9246752 0.68 NISCH (0.32) NISCH
SCHEMBL14993410 0.67 NOS3 (0.41) NISCH
SCHEMBL5011983 0.67 NOS3 (0.41) NISCH
SCHEMBL4611302 0.67 NOS3 (0.41) NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4145545-A AMMONIATION AND CYCLIZATION OF ALDEHYDES OR KETONES WITH CARBON DISULFIDE CATALYST OR ADDUCT PETROLITE CORPORATION (US) 1979-03-20 US disclosed
US-4085104-A Xanthates of 2,3,4,5-tetrahydropyrimidine PETROLITE CORPORATION (US) 1978-04-18 US disclosed