SCHEMBL17488287

SCHEMBL17488287

Nc1ccc2nc(N)n(CC(=O)Nc3ccc(OC(F)(F)F)cc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
MCHR1 Q99705 2/20 0.44
MCHR2 Q969V1 1/20 0.43
MAPT P10636 3/20 0.43
TRPA1 O75762 1/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
EPHX2 P34913 1/20 0.43
NTRK1 P04629 1/20 0.43
NTRK2 Q16620 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL18960400 0.86 HPGD (0.46) HPGDKMT2AMEN1ALDH1A1GAA
SCHEMBL18960401 0.79 IDH1 (0.47) HPGDKMT2AMEN1ALDH1A1GAA
SCHEMBL17488070 0.76 NOD1 (0.52) KMT2AGAAMAPK1NTRK1HTT
SCHEMBL17487443 0.75 TYMS (0.47) KMT2AALDH1A1POLBNTRK1NTRK2
SCHEMBL2610178 0.73 KDM4E (0.55) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL15225116 0.71 MAPT (0.77) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL2607600 0.70 CTSD (0.56) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL1514818 0.70 KDM4E (0.75) HPGDKMT2AMEN1ALDH1A1GAA
SCHEMBL13182089 0.69 MEN1 (0.75) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL17488202 0.68 NOD1 (0.46) KMT2AMCHR1MCHR2MAPTMAPK1

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-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO disclosed