SCHEMBL13647331

SCHEMBL13647331

O=C(NF)C1Cc2ccccc2CN1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
SMYD3 Q9H7B4 1/20 0.48
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
PNMT P11086 3/20 0.45
POLB P06746 1/20 0.45
CXCR3 P49682 1/20 0.45

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
SCHEMBL27470508 0.85 KMT2A (0.57) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL8268852 0.83 KMT2A (0.56) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL29499086 0.81 MEN1 (0.49) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL6444461 0.81 KMT2A (0.53) KMT2AMEN1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL4786867 0.80 HDAC8 (0.61) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL6930590 0.80 HDAC8 (0.56) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL6477827 0.80 HDAC8 (0.56) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL2791174 0.80 HDAC8 (0.56) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL288272 0.79 GAA (0.58) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL288260 0.79 GAA (0.58) KMT2AMEN1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309566-B1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-10-07 EP disclosed