SCHEMBL6650433

SCHEMBL6650433

Cn1ccnc1Cc1ccc(F)cc1O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 7/20 0.43
KMT2A Q03164 6/20 0.40
MEN1 O00255 4/20 0.40
OPRK1 P41145 1/20 0.39
NAMPT P43490 1/20 0.38
FDPS P14324 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6650405 0.85 KMT2A (0.38) CASP6KMT2AMEN1OPRK1NAMPT
SCHEMBL6651515 0.83 KMT2A (0.48) KMT2AMEN1OPRK1FDPSMAPT
SCHEMBL6650608 0.79 OPRK1 (0.43) KMT2AMEN1OPRK1FDPSKDM4E
SCHEMBL4063363 0.73 FDPS (0.48) KMT2AMEN1OPRK1FDPSKDM4E
SCHEMBL6651869 0.73 GPR6 (0.35) KMT2AMEN1KDM4EGAAMAPT
Formic Acid SCHEMBL30454816 0.73 KMT2A (0.44) KMT2AMEN1OPRK1FDPSKDM4E
SCHEMBL6649403 0.71 KMT2A (0.39) KMT2AMEN1OPRK1FDPSALDH1A1
SCHEMBL6650687 0.70 KMT2A (0.47) KMT2AMEN1OPRK1FDPSMAPT
SCHEMBL15236207 0.69
SCHEMBL6653570 0.68 HSP90AA1 (0.46) KMT2AMEN1OPRK1FDPSALDH1A1

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-1103243-B1 UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P ESTEVE LABOR DR (ES) 2004-01-07 EP claimed