SCHEMBL10582913

SCHEMBL10582913

CCCCCc1ccc(-c2ccc([N+](=O)[O-])cc2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.63
NPC1 O15118 7/20 0.63
SMN1; SMN2 Q16637 7/20 0.63
MAPT P10636 5/20 0.63
STAT3 P40763 1/20 0.63
ATM Q13315 1/20 0.63
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.61
CASP3 P42574 2/20 0.61
SENP8 Q96LD8 2/20 0.61
SENP7 Q9BQF6 2/20 0.61
SENP6 Q9GZR1 2/20 0.61
MAPK1 P28482 1/20 0.58
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 3/20 0.56
EIF4A1 P60842 2/20 0.55
KCNH2 Q12809 1/20 0.53

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
SCHEMBL5051535 0.96 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL14988202 0.88 EIF4A1 (0.62) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9620646 0.84 RAB9A (0.79) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL10556991 0.82 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL10558311 0.82 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9620521 0.82 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL10557405 0.82 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL10555730 0.82 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9839354 0.82 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL10557531 0.82 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTSTAT3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310676-A1 LIQUID-CRYSTAL DERIVATIVES OF 2,5-DISUBSTITUTED PYRIDINE AS COMPONENTS OF LIQUID-CRYSTAL MATERIAL, AND A LIQUID-CRYSTAL MATERIAL PAVLJUCHENKO, Assya Iosifovna (RU) 1989-04-12 EP disclosed