SCHEMBL9833381

SCHEMBL9833381

N#CC(C(=O)Nc1ccccc1)C(=O)c1nn(-c2cc(Cl)cc(Cl)c2)c2c1CSc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
TP53 P04637 6/20 0.39
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.35
THRB P10828 1/20 0.35
CYP1A2 P05177 1/20 0.35
HIF1A Q16665 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 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
SCHEMBL9834265 0.94 TP53 (0.42) MAPTTP53RAB9AL3MBTL1KMT2A
SCHEMBL9831814 0.94 TP53 (0.41) MAPTTP53RAB9AL3MBTL1KMT2A
SCHEMBL9832082 0.93 MAPT (0.39) MAPTTP53RAB9AL3MBTL1
SCHEMBL9833954 0.93 MAPT (0.43) MAPTTP53RAB9AL3MBTL1KMT2A
SCHEMBL8111901 0.92 TP53 (0.42) MAPTTP53RAB9AL3MBTL1KMT2A
SCHEMBL9832103 0.92 MAPT (0.43) MAPTTP53RAB9AL3MBTL1KMT2A
SCHEMBL9316263 0.91 RIPK1 (0.41) MAPTTP53L3MBTL1KMT2A
SCHEMBL9831199 0.90 MAPT (0.39) MAPTTP53RAB9AL3MBTL1KMT2A
SCHEMBL9316496 0.89 MEN1 (0.40) MAPTTP53KMT2ACYP1A2HIF1A
SCHEMBL9833737 0.89 TP53 (0.45) MAPTTP53RAB9AL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274443-A1 Heteroaryl 3-oxo-propanenitrile derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-13 EP claimed
EP-0274443-B1 HETEROARYL 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-29 EP disclosed
US-4816467-A BACTERICIDES, VIRICIDES FARMITALIA CARLO ERBA S.R.L (IT) 1989-03-28 US disclosed
EP-0274443-A1 Heteroaryl 3-oxo-propanenitrile derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-13 EP disclosed