SCHEMBL9834152

SCHEMBL9834152

N#CC(C(=O)NCc1ccccc1)C(=O)c1nn(-c2cccc(Cl)c2)c2c1CSc1ccc(Cl)cc1-2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 3/20 0.40
LMNA P02545 2/20 0.39
CNR1 P21554 2/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
DHODH Q02127 2/20 0.36
CARM1 Q86X55 1/20 0.36
HTT P42858 1/20 0.35
CNR2 P34972 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
SCHEMBL9833391 0.97 MAPT (0.46) MAPTMEN1POLBKMT2ATP53
SCHEMBL9831879 0.95 MAPT (0.42) MAPTMEN1POLBKMT2ATP53
SCHEMBL9834840 0.95 MAPT (0.44) MAPTMEN1POLBKMT2ATP53
SCHEMBL9834096 0.94 MAPT (0.49) MAPTTP53LMNACNR1CCNA2
SCHEMBL9831377 0.92 TP53 (0.45) MAPTMEN1POLBKMT2ATP53
SCHEMBL9833865 0.89 POLB (0.39) MAPTMEN1POLBKMT2ATP53
SCHEMBL9834242 0.88 MAPT (0.50) MAPTTP53LMNADHODH
SCHEMBL9831991 0.87 MAPT (0.52) MAPTTP53LMNA
SCHEMBL9316737 0.87 TP53 (0.49) MAPTMEN1KMT2ATP53LMNA
SCHEMBL9831040 0.87 RIPK1 (0.41) MAPTMEN1POLBKMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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