SCHEMBL8601762

SCHEMBL8601762

C=CCSc1nc2ccccc2c([N+](=O)[O-])c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
DHFR P00374 2/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 2/20 0.40
NPC1 O15118 1/20 0.40
CYP2D6 P10635 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.36
POLB P06746 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
SCHEMBL8564291 0.82 MAPT (0.49) TDP1LMNAL3MBTL1SMN1; SMN2CYP2C9
SCHEMBL8600860 0.80 DHFR (0.41) TDP1DHFRLMNAL3MBTL1SMN1; SMN2
SCHEMBL8597429 0.78 RXFP1 (0.40) TDP1LMNASMN1; SMN2CYP1A2CYP2C9
SCHEMBL8598680 0.78 MAPT (0.38) TDP1LMNASMN1; SMN2CYP3A4RAB9A
SCHEMBL8597358 0.78 DHFR (0.41) TDP1DHFRLMNAL3MBTL1SMN1; SMN2
SCHEMBL8597788 0.75 GSK3A (0.46) LMNASMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL8599095 0.75 ALDH1A1 (0.37) TDP1LMNASMN1; SMN2CYP1A2CYP2C9
SCHEMBL8595032 0.74 MAPT (0.40) TDP1LMNAL3MBTL1SMN1; SMN2CYP3A4
SCHEMBL8625911 0.74 MAPT (0.35) TDP1LMNASMN1; SMN2CYP3A4RAB9A
SCHEMBL8564301 0.73 KDM4E (0.47) TDP1LMNAL3MBTL1SMN1; SMN2CYP3A4

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