SCHEMBL8937640

SCHEMBL8937640

Nc1cc(N)c(-c2ccc([N+](=O)[O-])c(-c3ccccc3Cl)c2-c2ccccc2Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.39
DHFR P00374 1/20 0.39
MAPT P10636 5/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NLRP3 Q96P20 1/20 0.36
CYP3A4 P08684 1/20 0.36
PIN1 Q13526 1/20 0.36
EGFR P00533 2/20 0.35
THRB P10828 1/20 0.35
HSD11B1 P28845 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35

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
SCHEMBL6049654 0.81 DHFR (0.55) DHFRMAPTHPGDMEN1KMT2A
SCHEMBL8937642 0.73 PTPRC (0.44) PDE7AMAPTHPGDMEN1KMT2A
SCHEMBL16174634 0.72 S100A4 (0.50) PDE7AMAPTHPGDMEN1KMT2A
SCHEMBL3259771 0.69 ADORA2A (0.38) PDE7AMAPTHPGDMEN1KMT2A
SCHEMBL18967848 0.68 S100A4 (0.56) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL16663608 0.67 ALDH1A1 (0.49) PDE7ADHFRMAPTMEN1KMT2A
SCHEMBL29563051 0.67 ALDH1A1 (0.49) PDE7ADHFRMAPTMEN1KMT2A
SCHEMBL57031 0.67 ALDH1A1 (0.49) PDE7ADHFRMAPTMEN1KMT2A
SCHEMBL11901405 0.67 S100A4 (0.50) PDE7AMAPTHPGDKMT2AALDH1A1
SCHEMBL10714006 0.67 ALDH1A1 (0.51) PDE7AMAPTHPGDMEN1KMT2A

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-5587380-A ANTIISCHEMIC AGENTS GLAXO WELLCOME INC. (US) 1996-12-24 US disclosed