SCHEMBL6650486

SCHEMBL6650486

Cn1ccnc1Cc1ccc(Cl)c(Cl)c1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
NOTUM Q6P988 1/20 0.37
FDPS P14324 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
KCNH2 Q12809 3/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6648324 0.83 MC4R (0.41) KMT2AMEN1FDPSMC4ROPRK1
SCHEMBL6649403 0.82 KMT2A (0.39) KMT2AMEN1FDPSCA12CA1
SCHEMBL6651254 0.77 KMT2A (0.42) KMT2AMEN1FDPSKCNH2ALDH1A1
SCHEMBL6672324 0.76 KDM4E (0.33) KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6650687 0.75 KMT2A (0.47) KMT2AMEN1FDPSKCNH2ALDH1A1
SCHEMBL6650126 0.75 DRD4 (0.34) KMT2AMEN1
SCHEMBL6651627 0.71 KDM4E (0.35) KMT2AMEN1ALDH1A1
SCHEMBL6653570 0.71 HSP90AA1 (0.46) KMT2AMEN1FDPSALDH1A1SMN1; SMN2
SCHEMBL6651515 0.71 KMT2A (0.48) KMT2AMEN1FDPSALDH1A1SMN1; SMN2
SCHEMBL6653862 0.70 CYP1A2 (0.35) KMT2AMEN1ALDH1A1SMN1; SMN2

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