SCHEMBL8567672

SCHEMBL8567672

Nc1ccnc(SCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 5/20 0.48
CYP2C9 P11712 2/20 0.46
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
MGMT P16455 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SLC29A1 Q99808 2/20 0.41
GSTP1 P09211 1/20 0.40
GSTM2 P28161 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 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
SCHEMBL8562706 0.78 MEN1 (0.50) MEN1KMT2AALDH1A1CYP2C9MAPT
SCHEMBL8601170 0.76 MAPT (0.38) MEN1KMT2AALDH1A1CYP2C9MAPT
SCHEMBL393514 0.75 MEN1 (1.00) MEN1KMT2AALDH1A1CYP2C9MAPT
SCHEMBL22531432 0.75 POLB (0.62) MEN1KMT2AALDH1A1CYP2C9MAPT
SCHEMBL8567046 0.75 HTT (0.47) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL30498938 0.75 MEN1 (1.00) MEN1KMT2AALDH1A1CYP2C9MAPT
SCHEMBL8568938 0.75 GSTP1 (0.49) MEN1KMT2AALDH1A1CYP2C9MAPT
SCHEMBL8596428 0.74 GPR84 (0.44) MEN1KMT2AALDH1A1CYP2C9MAPT
SCHEMBL8564287 0.73 MGMT (0.61) MEN1KMT2ALMNAHTTMGMT
SCHEMBL8564291 0.73 MAPT (0.49) MEN1KMT2AALDH1A1CYP2C9MAPT

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