SCHEMBL9831377

SCHEMBL9831377

N#CC(C(=O)NCc1ccccc1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CSc1ccc(Cl)cc1-2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.45
MAPT P10636 5/20 0.43
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
DHODH Q02127 3/20 0.39
LMNA P02545 1/20 0.38
CNR1 P21554 1/20 0.38
ABCB1 P08183 2/20 0.37
MALT1 Q9UDY8 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
SCHEMBL9833391 0.95 MAPT (0.46) TP53MAPTMEN1POLBKMT2A
SCHEMBL9831879 0.93 MAPT (0.42) TP53MAPTMEN1POLBKMT2A
SCHEMBL9834152 0.92 MAPT (0.44) TP53MAPTMEN1POLBKMT2A
SCHEMBL9833365 0.91 TP53 (0.55) TP53MAPT
SCHEMBL9833948 0.89 ALDH1A1 (0.40) TP53MAPTMEN1POLBKMT2A
SCHEMBL9834840 0.89 MAPT (0.44) TP53MAPTMEN1POLBKMT2A
SCHEMBL9832532 0.88 ALDH1A1 (0.42) TP53MAPTMEN1POLBKMT2A
SCHEMBL9831845 0.87 TP53 (0.57) TP53MAPTCNR1
SCHEMBL9834096 0.87 MAPT (0.49) TP53MAPTLMNACNR1
SCHEMBL9834242 0.87 MAPT (0.50) TP53MAPTDHODHLMNA

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