SCHEMBL9987005

SCHEMBL9987005

CN(c1cccnc1)c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCSCC3)c(F)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L2 Q92843 1/20 0.36
CSF1R P07333 1/20 0.36
CDK6 Q00534 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 3/20 0.34
FLT3 P36888 2/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 2/20 0.34
JAK1 P23458 1/20 0.34
BRDT Q58F21 1/20 0.34
KMT2A Q03164 2/20 0.33
SIK1 P57059 2/20 0.33
SIK2 Q9H0K1 2/20 0.33
SIK3 Q9Y2K2 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9984937 0.92 MAPT (0.42) ALDH1A1MAPTMAPK1LMNASMN1; SMN2
SCHEMBL9984454 0.91 ACVR1 (0.42) CSF1RCDK6ALDH1A1MAPTMAPK1
SCHEMBL9988236 0.90 BCL2L2 (0.36) BCL2L2CSF1RCDK6ALDH1A1MAPT
SCHEMBL9984717 0.89 PLK1 (0.38) CSF1RCDK6ALDH1A1MAPTMAPK1
SCHEMBL9983902 0.89 SYK (0.37) CSF1RCDK6ALDH1A1MAPTMAPK1
SCHEMBL9987422 0.87 TDP1 (0.40) ALDH1A1MAPTMAPK1LMNASMN1; SMN2
SCHEMBL9985355 0.83 MAPT (0.41) ALDH1A1MAPTMAPK1LMNASMN1; SMN2
SCHEMBL9985628 0.83 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1LMNASMN1; SMN2
SCHEMBL9983856 0.82 MAPT (0.39) ALDH1A1MAPTMAPK1LMNASMN1; SMN2
SCHEMBL9984365 0.80 MAPT (0.40) CSF1RCDK6ALDH1A1MAPTMAPK1

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