SCHEMBL8564259

SCHEMBL8564259

COCCc1cc(N)cnc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
S1PR4 O95977 6/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTGES O14684 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8561264 0.82 S1PR4 (0.39) ALDH1A1MAPTS1PR4LMNASMN1; SMN2
SCHEMBL8602297 0.79 L3MBTL1 (0.40) ALDH1A1MAPTS1PR4POLBHTT
SCHEMBL8569178 0.76 ALDH1A1 (0.37) ALDH1A1MAPTLMNAPOLBHTT
SCHEMBL2794197 0.76 LMNA (0.36) ALDH1A1LMNA
SCHEMBL8563926 0.74 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL8563923 0.74 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL8596319 0.74 ALDH1A1 (0.32) ALDH1A1MAPTPOLBHTT
SCHEMBL8564571 0.73 MAPT (0.43) ALDH1A1MAPTLMNAHTTRAB9A
SCHEMBL8568292 0.73 ALDH1A1 (0.39) ALDH1A1MAPTS1PR4LMNAPOLB
SCHEMBL28046347 0.73 HTT (0.42) ALDH1A1MAPTLMNAPOLBHTT

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