SCHEMBL9112779

SCHEMBL9112779

CCCCCCCCCCCCn1nnc(C(=O)O)n1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
FAAH O00519 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL15020158 0.98 KMT2A (0.47) KMT2AFAAHMEN1
SCHEMBL15932119 0.93 KMT2A (0.47) KMT2AFAAHMEN1
SCHEMBL15020191 0.80 ALDH1A1 (0.44) KMT2AMEN1
SCHEMBL9138218 0.79 TRPV1 (0.40)
SCHEMBL9138211 0.79 TRPV1 (0.40)
SCHEMBL7514634 0.78 KMT2A (0.43) KMT2AMEN1
SCHEMBL9111785 0.76 EPHX2 (0.50) KMT2AMEN1
SCHEMBL7511540 0.75 KMT2A (0.45) KMT2AMEN1
Benzene SCHEMBL9212253 0.75 RAB9A (0.47) KMT2AMEN1
SCHEMBL15931725 0.74 ALDH1A1 (0.46) KMT2AMEN1

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-1995014679-A1 TETRAZOLE-SUBSTITUTED UREA ACAT INHIBITORS PARKE, DAVIS & COMPANY (US) 1995-06-01 WO disclosed
US-5362744-A Treatnent of athrosclerosis, anticholesterol agents WARNER-LAMBERT COMPANY (US) 1994-11-08 US disclosed