SCHEMBL8565698

SCHEMBL8565698

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 5/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
TDP1 Q9NUW8 3/20 0.40
OPRK1 P41145 1/20 0.39
MAPT P10636 4/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38

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
SCHEMBL8565695 1.00 KMT2A (0.42) KMT2AALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL8559988 0.85 NFE2L2 (0.47) KMT2AALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL27504823 0.81 KMT2A (0.40) KMT2AALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL8601047 0.78 POLB (0.39) KMT2AALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL8601050 0.78 POLB (0.39) KMT2AALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL8568103 0.76 RAB9A (0.46) KMT2AALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL8568102 0.76 RAB9A (0.46) KMT2AALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL3298254 0.76 KMT2A (0.54) KMT2AALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL8570733 0.75 ALDH1A1 (0.46) KMT2AALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL3956436 0.74 NCF1 (0.51) KMT2AALDH1A1SMN1; SMN2KDM4EGLA

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