SCHEMBL6649403

SCHEMBL6649403

Cn1ccnc1Cc1ccc(Cl)c(Cl)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
FDPS P14324 1/20 0.37
OPRK1 P41145 1/20 0.36
TRPM5 Q9NZQ8 2/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MC4R P32245 1/20 0.33
TP53 P04637 1/20 0.33
NR3C1 P04150 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 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
SCHEMBL6650486 0.82 KMT2A (0.38) KMT2AMEN1FDPSOPRK1ALDH1A1
SCHEMBL5600154 0.82 ALDH1A1 (0.48) KMT2AALDH1A1CA12CA1CA2
SCHEMBL6653570 0.82 HSP90AA1 (0.46) KMT2AMEN1FDPSOPRK1ALDH1A1
SCHEMBL6651515 0.76 KMT2A (0.48) KMT2AMEN1FDPSOPRK1TRPM5
SCHEMBL6651627 0.73 KDM4E (0.35) KMT2AMEN1TRPM5ALDH1A1LMNA
SCHEMBL6651254 0.73 KMT2A (0.42) KMT2AMEN1FDPSOPRK1ALDH1A1
SCHEMBL6653862 0.72 CYP1A2 (0.35) KMT2AMEN1TRPM5ALDH1A1SMN1; SMN2
SCHEMBL4063363 0.72 FDPS (0.48) KMT2AMEN1FDPSOPRK1TRPM5
SCHEMBL6650687 0.72 KMT2A (0.47) KMT2AMEN1FDPSOPRK1TRPM5
SCHEMBL6672324 0.71 KDM4E (0.33) KMT2AMEN1TRPM5ALDH1A1SMN1; 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