SCHEMBL9987452

SCHEMBL9987452

NC1CCN(c2ccc([N+](=O)[O-])c(Nc3ccc(N4CCC(N)CC4)c(F)c3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
SYK P43405 2/20 0.38
RET P07949 2/20 0.38
ROS1 P08922 2/20 0.38
FLT3 P36888 2/20 0.38
EML4 Q9HC35 1/20 0.38
ALK Q9UM73 1/20 0.38
MAPT P10636 11/20 0.38
MAPK1 P28482 4/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
AXL P30530 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL9984893 0.96 ALDH1A1 (0.45) ALDH1A1SYKMAPTMAPK1POLB
SCHEMBL9984527 0.95 MAPT (0.43) ALDH1A1SYKRETROS1FLT3
SCHEMBL9984347 0.95 MAPT (0.43) ALDH1A1SYKRETROS1FLT3
SCHEMBL9983771 0.94 FLT3 (0.46) ALDH1A1RETROS1FLT3EML4
SCHEMBL9984333 0.94 SYK (0.46) ALDH1A1SYKRETROS1FLT3
SCHEMBL9984604 0.94 SYK (0.36) ALDH1A1SYKRETROS1FLT3
SCHEMBL9985177 0.94 MAPT (0.42) ALDH1A1MAPTMAPK1LMNAGAA
SCHEMBL9984480 0.93 MAPT (0.49) ALDH1A1SYKRETROS1FLT3
SCHEMBL9984999 0.92 MAPT (0.39) ALDH1A1MAPTMAPK1POLBTDP1
SCHEMBL9984012 0.90 MAPT (0.47) ALDH1A1SYKRETROS1FLT3

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