SCHEMBL437260

SCHEMBL437260

Cc1c(Cl)ccc2c(N)c(C(=O)O)cnc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.67
PPARA Q07869 1/20 0.49
MAPT P10636 3/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.44
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41

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
SCHEMBL439785 0.86 HAVCR2 (0.68) HAVCR2PPARAMAPTTHRBKMT2A
SCHEMBL438308 0.84 HAVCR2 (0.57) HAVCR2MAPTTHRBKMT2AKDM4E
SCHEMBL436903 0.84 KMT2A (0.65) HAVCR2MAPTTHRBKMT2AKDM4E
SCHEMBL439981 0.82 HAVCR2 (0.55) HAVCR2MAPTTHRBKMT2AKDM4E
SCHEMBL436942 0.80 HAVCR2 (0.41) HAVCR2PPARAMAPTTHRBKMT2A
SCHEMBL436716 0.80 HAVCR2 (1.00) HAVCR2PPARAMAPTKMT2AKDM4E
SCHEMBL2483995 0.79 NPSR1 (0.50) HAVCR2PPARAMAPTTHRBKMT2A
SCHEMBL442158 0.78 HAVCR2 (0.54) HAVCR2PPARAMAPTKMT2AKDM4E
SCHEMBL436971 0.78 HAVCR2 (0.61) HAVCR2PPARAMAPTKMT2AKDM4E
SCHEMBL436434 0.77 HAVCR2 (0.68) HAVCR2KMT2AKDM4EMEN1NPC1

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed