SCHEMBL9988236

SCHEMBL9988236

CN(c1ccncc1)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
HTT P42858 3/20 0.35
CSF1R P07333 1/20 0.34
CDK6 Q00534 1/20 0.34
WDR5 P61964 1/20 0.34
MAPT P10636 5/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 4/20 0.33
FLT3 P36888 2/20 0.33
JAK2 O60674 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
HSF1 Q00613 1/20 0.32
KDR P35968 1/20 0.32
JAK3 P52333 1/20 0.32
LMNA P02545 2/20 0.32
SYK P43405 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9983856 0.91 MAPT (0.39) HTTMAPTALDH1A1L3MBTL1TDP1
SCHEMBL9987005 0.90 BCL2L2 (0.36) BCL2L2CSF1RCDK6MAPTALDH1A1
SCHEMBL9984365 0.90 MAPT (0.40) CSF1RCDK6MAPTALDH1A1LMNA
SCHEMBL9984367 0.88 SYK (0.36) HTTCSF1RCDK6WDR5MAPT
SCHEMBL9984251 0.88 MAPT (0.39) HTTCSF1RCDK6WDR5MAPT
SCHEMBL9987161 0.86 TDP1 (0.42) HTTMAPTL3MBTL1BRD4FLT3
SCHEMBL9984163 0.86 MAPT (0.44) HTTMAPTALDH1A1L3MBTL1BRD4
SCHEMBL9983887 0.84 MAPT (0.38) HTTCSF1RMAPTALDH1A1BRD4
SCHEMBL9984255 0.82 MAPT (0.38) HTTMAPTTHRBALDH1A1FLT3
SCHEMBL9984403 0.82 POLB (0.42) MAPTMEN1KMT2A

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