SCHEMBL8559988

SCHEMBL8559988

O=[N+]([O-])c1cc(C=Cc2ccccc2)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.47
NQO2 P16083 1/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ELANE P08246 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43

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
Morpholine SCHEMBL27446166 0.87 NPC1 (0.41) NFE2L2NQO2RAB9ANPC1KMT2A
SCHEMBL8565698 0.85 KMT2A (0.42) NQO2RAB9ANPC1KMT2ATDP1
SCHEMBL8565695 0.85 KMT2A (0.42) NQO2RAB9ANPC1KMT2ATDP1
SCHEMBL27504823 0.81 KMT2A (0.40) RAB9ANPC1KMT2ATDP1MAPT
SCHEMBL1225258 0.78 KMT2A (0.57) NQO2RAB9ANPC1KMT2ATDP1
SCHEMBL8601047 0.78 POLB (0.39) RAB9ANPC1KMT2ATDP1MAPT
SCHEMBL8601050 0.78 POLB (0.39) RAB9ANPC1KMT2ATDP1MAPT
Bromide SCHEMBL6113767 0.77 KMT2A (0.56) NQO2RAB9ANPC1KMT2ATDP1
Iodomethane SCHEMBL1225554 0.76 KMT2A (0.55) NQO2RAB9ANPC1KMT2ATDP1
SCHEMBL3298254 0.76 KMT2A (0.54) RAB9ANPC1KMT2ATDP1MAPT

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