SCHEMBL8595244

SCHEMBL8595244

C=CCSc1cnccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
PDE7A Q13946 2/20 0.38
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 2/20 0.36
APOBEC3A P31941 1/20 0.36
MCL1 Q07820 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
PKM P14618 1/20 0.35
HTT P42858 3/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7B Q9NP56 1/20 0.35
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DHFR P00374 1/20 0.32

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
SCHEMBL8597007 0.77 HASPIN (0.44) MAPTSMN1; SMN2RAB9ANPC1PDE7A
SCHEMBL8563127 0.75 MEN1 (0.59) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8598894 0.73 MEN1 (0.39) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL9603355 0.73 TDP1 (0.49) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8600916 0.73 MEN1 (0.61) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8599537 0.72 KMT2A (0.36) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9443340 0.71 TSHR (0.45) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8595123 0.71 EGFR (0.36) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL27446164 0.70 ALDH1A1 (0.41) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8601697 0.70 ALDH1A1 (0.42) KMT2AMAPTSMN1; SMN2RAB9AALDH1A1

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