SCHEMBL9126946

SCHEMBL9126946

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPIA P62937 5/20 0.53
PPIF P30405 2/20 0.53
SGMS2 Q8NHU3 1/20 0.47
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 2/20 0.41
DHODH Q02127 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL9124509 0.89 PPIA (0.53) PPIAPPIFSGMS2MAPTTDP1
SCHEMBL9129017 0.89 SGMS2 (0.50) PPIAPPIFSGMS2TDP1ALDH1A1
SCHEMBL9127827 0.88 PPIA (0.50) PPIAPPIFSGMS2TDP1ALDH1A1
SCHEMBL9126729 0.86 SGMS2 (0.55) PPIAPPIFSGMS2TDP1RAB9A
SCHEMBL9123957 0.86 SGMS2 (0.48) PPIAPPIFSGMS2TDP1ALDH1A1
SCHEMBL9124032 0.82 PPIA (0.53) PPIAPPIFSGMS2MAPTALDH1A1
SCHEMBL9126543 0.82 PPIA (0.45) PPIAPPIFSGMS2MAPTTDP1
SCHEMBL9129421 0.81 PPIF (0.55) PPIAPPIFSGMS2MAPTTDP1
SCHEMBL9127894 0.80 PPIA (0.55) PPIAPPIFSGMS2MAPTTDP1
SCHEMBL9126609 0.79 PPIA (0.53) PPIAPPIFSGMS2

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-5441743-A In thermoplastic or thermosetting binder BATTELLE MEMORIAL INSTITUTE (US) 1995-08-15 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