SCHEMBL8564291

SCHEMBL8564291

Nc1c(SCc2ccccc2)nc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ELANE P08246 1/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL8601762 0.82 TDP1 (0.43) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8597429 0.80 RXFP1 (0.40) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8560428 0.79 MEN1 (0.47) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8561208 0.77 HPGD (0.43) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8567296 0.76 MEN1 (0.47) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8564301 0.75 KDM4E (0.47) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8561932 0.74 KDM4E (0.46) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8567714 0.74 MGMT (0.61) L3MBTL1ELANELMNA
SCHEMBL8569814 0.74 MAPT (0.61) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8567672 0.73 MEN1 (0.60) MAPTALDH1A1MEN1KMT2APOLB

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