SCHEMBL8564524

SCHEMBL8564524

O=C(Cc1ccccc1)c1cc([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
AGTR1 P30556 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GLA P06280 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
GALR3 O60755 1/20 0.40
HTT P42858 1/20 0.40
TACR3 P29371 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GRM1 Q13255 1/20 0.39

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
SCHEMBL8563618 0.83 ALDH1A1 (0.59) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8568306 0.82 TACR3 (0.63) MAPTSMN1; SMN2HPGDKDM4EMEN1
SCHEMBL8567516 0.81 AGTR1 (0.48) MAPTALDH1A1RAB9AHPGDAGTR1
SCHEMBL8563079 0.80 NCOA1 (0.54) MAPTALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL8564716 0.80 MAPT (0.47) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8597050 0.80 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2HPGDAGTR1
SCHEMBL8561159 0.76 SMN1; SMN2 (0.42) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8562778 0.76 RIPK1 (0.47) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8559983 0.75 MAPT (0.42) MAPTALDH1A1SMN1; SMN2RAB9AAGTR1
SCHEMBL27444565 0.75 MAPT (0.51) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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