SCHEMBL8568102

SCHEMBL8568102

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
NPC1 O15118 5/20 0.46
MAPT P10636 8/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 3/20 0.43
HPRT1 P00492 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
GUSB P08236 1/20 0.42
F2 P00734 1/20 0.42
C1R P00736 1/20 0.42
PIM1 P11309 2/20 0.41
PIM3 Q86V86 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL8568103 1.00 RAB9A (0.46) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL8569276 0.87 RAB9A (0.57) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL31469105 0.84 MAPT (0.47) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL8567732 0.80 MAPT (0.45) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL8567734 0.80 MAPT (0.45) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL8565698 0.76 KMT2A (0.42) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL8565695 0.76 KMT2A (0.42) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL3298254 0.76 KMT2A (0.54) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL8561151 0.74 BACE1 (0.51) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL8566524 0.74 MEN1 (0.53) RAB9AKMT2AMEN1MAPTSMN1; SMN2

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