SCHEMBL9987980

SCHEMBL9987980

O=C(O)C1CCN(c2ccc(Nc3nc(Cl)ccc3[N+](=O)[O-])cc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 5/20 0.45
SERPINE1 P05121 6/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
IDH2 P48735 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
JAK2 O60674 1/20 0.40
BRD4 O60885 1/20 0.40
RHOA P61586 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL9985521 0.92 MAPT (0.57) TDP1L3MBTL1POLBMAPTKMT2A
SCHEMBL9985257 0.90 MAPT (0.48) TDP1L3MBTL1POLBMAPTKMT2A
SCHEMBL9987376 0.87 TDP1 (0.48) TDP1L3MBTL1POLBMAPTSERPINE1
SCHEMBL9988152 0.86 TDP1 (0.47) TDP1L3MBTL1POLBMAPTSERPINE1
SCHEMBL9984259 0.85 ALDH1A1 (0.50) TDP1L3MBTL1POLBMAPTKMT2A
SCHEMBL9987975 0.85 FLT3 (0.46) TDP1MAPTSERPINE1KMT2AMEN1
SCHEMBL9987584 0.85 BRD4 (0.51) TDP1L3MBTL1POLBMAPTSERPINE1
SCHEMBL9983804 0.84 SYK (0.41) L3MBTL1MAPT
SCHEMBL21643974 0.84 MAPT (0.47) TDP1POLBMAPTKMT2AMEN1
SCHEMBL9985022 0.84 FGFR4 (0.42) L3MBTL1POLBMAPTKMT2AMEN1

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