SCHEMBL8600823

SCHEMBL8600823

C=CCc1cc([N+](=O)[O-])c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 4/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
HPRT1 P00492 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
GUSB P08236 1/20 0.40
F2 P00734 1/20 0.40
C1R P00736 1/20 0.40
PIM1 P11309 2/20 0.40
PIM3 Q86V86 2/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL8565715 0.81 KMT2A (0.46) KMT2AMEN1RAB9AMAPTMAPK1
SCHEMBL8567246 0.79 MAPT (0.45) KMT2AMEN1RAB9AMAPTMAPK1
SCHEMBL8598717 0.77 RAB9A (0.47) KMT2AMEN1RAB9AMAPTMAPK1
SCHEMBL8597485 0.77 DHFR (0.45) KMT2AMEN1RAB9AMAPTMAPK1
SCHEMBL8598709 0.77 KMT2A (0.40) KMT2AMEN1RAB9AMAPTMAPK1
SCHEMBL15648557 0.77 KDM4E (0.38) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL8599781 0.76 KMT2A (0.42) KMT2AMEN1RAB9AMAPTMAPK1
SCHEMBL8601044 0.75 MAPT (0.40) KMT2AMEN1RAB9AMAPTMAPK1
SCHEMBL8566432 0.75 POLB (0.45) KMT2AMEN1RAB9AMAPTMAPK1
SCHEMBL8600211 0.75 ALDH1A1 (0.55) KMT2AMEN1RAB9AMAPTMAPK1

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