SCHEMBL8018201

SCHEMBL8018201

C=CCN(CC=C)c1ncnc(SC)n1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.34
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
DHFR P00374 1/20 0.30

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
SCHEMBL1323774 0.79 HTT (0.36) KMT2A
SCHEMBL11807239 0.76 MAPT (0.37) CRHR1MEN1KMT2A
SCHEMBL8355359 0.75 HSD17B10 (0.44) MEN1KMT2A
SCHEMBL9507522 0.74 CRHR1 (0.33) CRHR1
SCHEMBL4856417 0.74 CRHR1 (0.33) CRHR1
SCHEMBL24727888 0.74 ADORA2A (0.40) CRHR1
SCHEMBL24728110 0.74 CRHR1 (0.33) CRHR1
SCHEMBL7553932 0.71 HTT (0.38) MEN1KMT2A
SCHEMBL369673 0.70 CRHR1 (0.34) CRHR1
SCHEMBL11160006 0.70 HTT (0.31)

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
WO-2000059305-A1 MICROBICIDAL COMPOSITION TROY CHEMIE GMBH (DE) 2000-10-12 WO disclosed
WO-2000059305-A1 MICROBICIDAL COMPOSITION TROY CHEMIE GMBH (DE) 2000-10-12 WO disclosed