SCHEMBL6650490

SCHEMBL6650490

Cn1ccnc1Cc1ccc(C(O)Cl)c(C(O)Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
OPRK1 P41145 1/20 0.36
FDPS P14324 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
USP1 O94782 1/20 0.31

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
SCHEMBL6650689 0.81 L3MBTL1 (0.40) MEN1KMT2AOPRK1FDPSL3MBTL1
SCHEMBL5599146 0.80 OPRK1 (0.46) MEN1KMT2AOPRK1FDPSL3MBTL1
SCHEMBL6651257 0.77 KMT2A (0.44) MEN1KMT2AOPRK1FDPSL3MBTL1
SCHEMBL6672328 0.74 TRPM5 (0.32) MEN1KMT2A
SCHEMBL6650132 0.73 HRH3 (0.33) MEN1KMT2AKDM4E
SCHEMBL6650409 0.72 L3MBTL1 (0.40) MEN1KMT2AOPRK1FDPSL3MBTL1
SCHEMBL21721828 0.70 HTR1D (0.43) MEN1KMT2AOPRK1FDPSL3MBTL1
SCHEMBL1008065 0.70 CA2 (0.56) MEN1KMT2AKDM4EMAPTTSHR
SCHEMBL5601022 0.69 LMNA (0.36) MEN1KMT2AOPRK1MAPTTSHR
SCHEMBL20204951 0.69 CYP11B1 (0.45) MEN1KMT2AOPRK1MAPT

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