SCHEMBL8596247

SCHEMBL8596247

CCCCCOc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
HTT P42858 2/20 0.44
POLB P06746 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDR P35968 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL8567843 0.85 POLB (0.43) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL8627624 0.82 MAPT (0.39) MAPTALDH1A1LMNAGAANPC1
SCHEMBL8597779 0.82 ESR1 (0.48) MAPTALDH1A1LMNAGAANPC1
SCHEMBL8599650 0.81 CYP1A2 (0.51) MAPTALDH1A1LMNAGAAPOLB
SCHEMBL8597821 0.80 LMNA (0.43) MAPTALDH1A1LMNAGAACYP1A2
SCHEMBL8601694 0.78 ALDH1A1 (0.42) MAPTALDH1A1LMNAGAANPC1
SCHEMBL8596001 0.78 SMN1; SMN2 (0.49) MAPTALDH1A1LMNAGAAHTT
SCHEMBL8563611 0.78 PIN1 (0.54) LMNANPC1RAB9AHTTPOLB
SCHEMBL12665019 0.78 MAPT (0.41) MAPTALDH1A1LMNAGAANPC1
SCHEMBL9602005 0.77 SMN1; SMN2 (0.51) MAPTALDH1A1LMNAGAAHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed