SCHEMBL4563605

SCHEMBL4563605

CCSc1cnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
CNR1 P21554 6/20 0.46
CNR2 P34972 2/20 0.46
POLB P06746 1/20 0.44
HSD11B1 P28845 2/20 0.43
OPRL1 P41146 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL4563433 0.82 KMT2A (0.50) KMT2ACNR1CNR2POLBHSD11B1
SCHEMBL4563366 0.80 KMT2A (0.54) KMT2ACNR1CNR2POLBHSD11B1
SCHEMBL4562966 0.76 KMT2A (0.49) KMT2ACNR1CNR2POLBHSD11B1
SCHEMBL4562967 0.75 CNR1 (0.44) KMT2ACNR1CNR2POLBMEN1
SCHEMBL3683921 0.75 KMT2A (0.52) KMT2ACNR1CNR2POLBHSD11B1
SCHEMBL4562962 0.73 CNR1 (0.45) KMT2ACNR1CNR2HSD11B1MEN1
SCHEMBL12064374 0.73 CNR1 (0.47) KMT2ACNR1CNR2POLBHSD11B1
SCHEMBL4563346 0.71 KMT2A (0.47) KMT2ACNR1CNR2POLBHSD11B1
SCHEMBL4065973 0.71 CNR1 (0.69) CNR1CNR2
SCHEMBL12064305 0.70 POLB (0.43) KMT2ACNR1CNR2POLBHSD11B1

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
EP-2026798-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS Solvay Pharmaceuticals GmbH (DE) 2009-02-25 EP disclosed
WO-2007125048-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-08 WO disclosed