SCHEMBL11531128

SCHEMBL11531128

CSc1ccc2c(c1)N=C(N)c1cscc1N2

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.35
PTGS2 P35354 1/20 0.31
CHRM1 P11229 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
SCHEMBL11637229 0.85 NOX1 (0.35) NOX1PTGS2CHRM1
SCHEMBL11532653 0.79 DRD2 (0.40) CHRM1
SCHEMBL11532011 0.76 CHRM1 (0.54) CHRM1
SCHEMBL6814192 0.75 LMNA (0.39) PTGS2CHRM1
SCHEMBL11634008 0.72 HRH4 (0.53) CHRM1
SCHEMBL11635535 0.71 DRD2 (0.38) CHRM1
SCHEMBL11531278 0.70 MAPT (0.38) NOX1CHRM1
SCHEMBL11529621 0.70 NOX1 (0.40) NOX1PTGS2
SCHEMBL11630707 0.70 CHRM1 (0.41) CHRM1
SCHEMBL11633472 0.70 CHRM1 (0.40) CHRM1

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-4172831-A CENTRAL NERVOUS SYSTEM LILLY INDUSTRIES LIMITED (GB) 1979-10-30 US disclosed
US-4115574-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4115568-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed