SCHEMBL8563438

SCHEMBL8563438

COCCOc1cnccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
RECQL P46063 2/20 0.50
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 8/20 0.43
LMNA P02545 3/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL19172441 0.88 NPC1 (0.50) RAB9ANPC1RECQLKMT2ASMN1; SMN2
SCHEMBL8595772 0.84 LMNA (0.50) RAB9ANPC1RECQLKMT2ASMN1; SMN2
SCHEMBL28087330 0.83 ALDH1A1 (0.50) RAB9ANPC1RECQLKMT2AALDH1A1
SCHEMBL2241497 0.80 ALDH1A1 (0.56) RAB9AKMT2AALDH1A1LMNAKDM4E
SCHEMBL1340747 0.78 RAB9A (0.83) RAB9ANPC1RECQLKMT2ASMN1; SMN2
SCHEMBL8567652 0.77 HTT (0.42) RAB9ANPC1KMT2AALDH1A1LMNA
SCHEMBL8569165 0.75 CYP11B1 (0.54) RAB9ANPC1RECQLKMT2AALDH1A1
SCHEMBL14839601 0.74 ALDH1A1 (0.76) RAB9ANPC1RECQLKMT2ASMN1; SMN2
SCHEMBL10582387 0.74 ALDH1A1 (0.76) RAB9ANPC1RECQLKMT2ASMN1; SMN2
SCHEMBL31327471 0.74 LMNA (0.51) RAB9ANPC1RECQLKMT2ASMN1; SMN2

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