SCHEMBL9987161

SCHEMBL9987161

CN(c1ccncc1)c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCC(C(=O)O)CC3)c(F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
SERPINE1 P05121 3/20 0.38
JAK2 O60674 2/20 0.38
BRD4 O60885 2/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 5/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
SYK P43405 2/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RET P07949 1/20 0.35
ROS1 P08922 1/20 0.35
FLT3 P36888 1/20 0.35
EML4 Q9HC35 1/20 0.35
ALK Q9UM73 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
SCHEMBL9984163 0.93 MAPT (0.44) JAK2BRD4MAPTMAPK1MALT1
SCHEMBL9984251 0.91 MAPT (0.39) KMT2AMAPTMEN1MAPK1MALT1
SCHEMBL9987422 0.91 TDP1 (0.40) TDP1SERPINE1JAK2BRD4KMT2A
SCHEMBL9984367 0.90 SYK (0.36) BRD4KMT2AMAPTMEN1MAPK1
SCHEMBL9983856 0.88 MAPT (0.39) TDP1MAPTMAPK1POLBCYP2C9
SCHEMBL9984365 0.86 MAPT (0.40) MAPTMAPK1POLBGAA
SCHEMBL9988236 0.86 BCL2L2 (0.36) TDP1JAK2BRD4KMT2AMAPT
SCHEMBL9984312 0.86 ALDH1A1 (0.41) JAK2KMT2AMAPTMEN1SYK
SCHEMBL9984255 0.83 MAPT (0.38) TDP1JAK2KMT2AMAPTMEN1
SCHEMBL9984717 0.82 PLK1 (0.38) KMT2AMAPTMEN1MAPK1MALT1

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
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 EP disclosed