SCHEMBL9126543

SCHEMBL9126543

NC(=Nc1ccc([N+](=O)[O-])cc1)Nc1ncccc1OCc1c(F)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 3/20 0.45
PPIF P30405 2/20 0.45
SGMS2 Q8NHU3 1/20 0.43
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DHODH Q02127 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL9129022 0.89 SGMS2 (0.46) PPIAPPIFSGMS2MAPTALDH1A1
SCHEMBL9127446 0.88 SGMS2 (0.46) PPIAPPIFSGMS2MAPTALDH1A1
SCHEMBL9126733 0.87 SGMS2 (0.48) PPIAPPIFSGMS2ALDH1A1TDP1
SCHEMBL9123963 0.86 SGMS2 (0.44) PPIAPPIFSGMS2MAPTALDH1A1
SCHEMBL9124036 0.83 PPIF (0.48) PPIAPPIFSGMS2ALDH1A1TDP1
SCHEMBL9126946 0.82 PPIA (0.53) PPIAPPIFSGMS2MAPTALDH1A1
SCHEMBL9124509 0.82 PPIA (0.53) PPIAPPIFSGMS2MAPTALDH1A1
SCHEMBL9129424 0.81 SGMS2 (0.48) PPIAPPIFSGMS2ALDH1A1TDP1
SCHEMBL9127905 0.81 PPIA (0.45) PPIAPPIFSGMS2ALDH1A1SMN1; SMN2
SCHEMBL9126615 0.80 PPIA (0.48) PPIAPPIFSGMS2TDP1KMT2A

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
US-5409943-A [(alkoxy)pyridinyl]amine compounds which are useful in the treatment of gastrointestinal disorders SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-04-25 US disclosed
EP-0625143-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 EP disclosed
WO-1993015055-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 WO disclosed