SCHEMBL438119

SCHEMBL438119

Cc1cc(N)c2ccc(Cl)cc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 1.00
POLB P06746 1/20 0.68
NCF1 P14598 1/20 0.59
SOS2 Q07890 1/20 0.53
KMT2A Q03164 2/20 0.50
GNG2 P59768 2/20 0.49
GNB1 P62873 2/20 0.49
MPO P05164 1/20 0.46
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
CHRM1 P11229 1/20 0.45
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ADORA1 P30542 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL440491 0.85 NR4A2 (0.74) NR4A2POLBNCF1KMT2AGNG2
SCHEMBL1147963 0.81 NR4A2 (0.68) NR4A2POLBSOS2KMT2AMPO
SCHEMBL6492060 0.81 POLB (1.00) NR4A2POLBKMT2AMPOBCHE
SCHEMBL4745343 0.81 POLB (0.72) NR4A2POLBKMT2AMPOBCHE
SCHEMBL6492059 0.78 POLB (0.68) NR4A2POLBKMT2AMPOBCHE
SCHEMBL30682591 0.78 NR4A2 (0.64) NR4A2POLBNCF1KMT2AGNG2
SCHEMBL442339 0.78 NR4A2 (0.64) NR4A2POLBNCF1KMT2AGNG2
SCHEMBL4744795 0.78 POLB (0.68) NR4A2POLBKMT2AMPOALDH1A1
SCHEMBL442241 0.78 NR4A2 (0.64) NR4A2POLBNCF1KMT2AGNG2
SCHEMBL439508 0.77 NR4A2 (0.62) NR4A2POLBNCF1KMT2AGNG2

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