SCHEMBL9987422

SCHEMBL9987422

CN(c1cccnc1)c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCC(C(=O)O)CC3)c(F)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
JAK2 O60674 2/20 0.39
BRD4 O60885 2/20 0.39
NPY2R P49146 2/20 0.38
MTTP P55157 2/20 0.38
SERPINE1 P05121 2/20 0.38
MALT1 Q9UDY8 1/20 0.38
SYK P43405 2/20 0.37
SIK1 P57059 2/20 0.37
SIK2 Q9H0K1 2/20 0.37
SIK3 Q9Y2K2 2/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
IDH2 P48735 1/20 0.36
CTSB P07858 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
SCHEMBL9984717 0.92 PLK1 (0.38) NPY2RMTTPMALT1SYKSIK1
SCHEMBL9987161 0.91 TDP1 (0.42) TDP1JAK2BRD4SERPINE1MALT1
SCHEMBL9983902 0.90 SYK (0.37) JAK2BRD4NPY2RMTTPSYK
SCHEMBL9984937 0.89 MAPT (0.42) TDP1MAPTALDH1A1MAPK1LMNA
SCHEMBL9987005 0.87 BCL2L2 (0.36) TDP1JAK2BRD4SYKSIK1
SCHEMBL9984454 0.87 ACVR1 (0.42) JAK2BRD4MAPTALDH1A1MAPK1
SCHEMBL9985628 0.87 ALDH1A1 (0.42) JAK2SYKSIK1SIK2SIK3
SCHEMBL9985355 0.84 MAPT (0.41) TDP1JAK2NPY2RMTTPSYK
SCHEMBL9984163 0.84 MAPT (0.44) JAK2BRD4MALT1SYKMAPT
SCHEMBL9984251 0.82 MAPT (0.39) MALT1SYKMAPTALDH1A1MAPK1

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