SCHEMBL7646167

SCHEMBL7646167

NCC1=NN=C(c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
MCL1 Q07820 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CASP1 P29466 1/20 0.36
PSD A5PKW4 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
LMNA P02545 2/20 0.35
TLR9 Q9NR96 1/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NLRP3 Q96P20 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
SCHEMBL7645771 0.89 MAPT (0.43) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL6935668 0.82 MAPT (0.44) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL6999972 0.82 MALT1 (0.39) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL7234618 0.82 MAPT (0.50) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL7441422 0.81 MDM2 (0.41) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL7002338 0.81 MAPT (0.41) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL7000840 0.80 MAPT (0.41) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL6933786 0.75 PSD (0.44) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL6997430 0.74 GRIA2 (0.46) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL6993558 0.74 MAPT (0.41) MAPTMEN1KMT2AMAPK1RAB9A

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-6482819-B1 2,3-benzodiazepine derivatives GYOGYSZERKUTATO INTEZET KFT. (HU) 2002-11-19 US disclosed