SCHEMBL16645366

SCHEMBL16645366

COC(=O)c1ccc(Nc2ccc(CN)cc2N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.60
MAPT P10636 9/20 0.50
GAA P10253 7/20 0.50
KDM4E B2RXH2 6/20 0.50
NPC1 O15118 3/20 0.50
GFER P55789 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
MAPK1 P28482 1/20 0.49
HPGD P15428 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 4/20 0.47
THRB P10828 2/20 0.47
ERAP2 Q6P179 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46
RAB9A P51151 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL28267713 0.82 LOXL2 (0.83) LOXL2MAPTKDM4ENPC1SIRT2
SCHEMBL27480926 0.81 MAPK13 (0.65) MAPTGAAKDM4ENPC1GFER
SCHEMBL12374632 0.79 MAPT (0.74) MAPTGAAKDM4ENPC1GFER
SCHEMBL9683164 0.79 GAA (0.70) MAPTGAAKDM4ENPC1GFER
SCHEMBL144278 0.78 MAPT (0.58) MAPTGAAKDM4ENPC1GFER
SCHEMBL20631545 0.78 GAA (0.59) MAPTGAAKDM4ENPC1GFER
SCHEMBL30033633 0.78 GAA (0.59) MAPTGAAKDM4ENPC1GFER
SCHEMBL3665143 0.77 KDM4E (0.59) MAPTGAAKDM4ENPC1GFER
SCHEMBL4002584 0.77 GAA (0.72) MAPTGAAKDM4ENPC1GFER
SCHEMBL184868 0.77 LOXL2 (1.00) LOXL2MAPTGAAKDM4ENPC1

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
WO-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed