SCHEMBL8601044

SCHEMBL8601044

C=CCc1cc([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
DHFR P00374 1/20 0.38
KMT2A Q03164 8/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 4/20 0.38
POLB P06746 3/20 0.38
GLA P06280 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 5/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.36

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
SCHEMBL8570733 0.80 ALDH1A1 (0.46) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL27504823 0.80 KMT2A (0.40) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL8562778 0.79 RIPK1 (0.47) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL8601483 0.78 DHFR (0.47) MAPTALDH1A1DHFRKMT2ASMN1; SMN2
SCHEMBL3207252 0.78 RAB9A (0.47) MAPTALDH1A1DHFRKMT2ASMN1; SMN2
SCHEMBL8603465 0.78 DHFR (0.36) MAPTALDH1A1DHFRKMT2ASMN1; SMN2
SCHEMBL8602040 0.77 KMT2A (0.42) MAPTALDH1A1DHFRKMT2ASMN1; SMN2
SCHEMBL8600823 0.75 KMT2A (0.43) MAPTALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL8623968 0.75 MAPT (0.37) MAPTALDH1A1DHFRKMT2ASMN1; SMN2
SCHEMBL15648557 0.74 KDM4E (0.38) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E

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