SCHEMBL9523690

SCHEMBL9523690

N#CC(C(=O)Nc1cccc(Cl)c1)C(=O)c1nn(-c2ccccc2)c2c1CSc1ccc(CO)cc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.38
KCNJ6 P48051 4/20 0.37
KCNJ3 P48549 4/20 0.37
KCNJ5 P48544 3/20 0.37
MAPT P10636 8/20 0.35
TP53 P04637 4/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
NR3C1 P04150 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
TACR1 P25103 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL9831040 0.93 RIPK1 (0.41) RIPK1KCNJ6KCNJ3KCNJ5MAPT
SCHEMBL9316263 0.90 RIPK1 (0.41) RIPK1KCNJ6KCNJ3KCNJ5MAPT
SCHEMBL10571543 0.90 RIPK1 (0.42) RIPK1KCNJ6KCNJ3KCNJ5MAPT
SCHEMBL9522542 0.89 TP53 (0.40) RIPK1KCNJ6KCNJ3KCNJ5MAPT
SCHEMBL9833865 0.89 POLB (0.39) RIPK1KCNJ6KCNJ3KCNJ5MAPT
SCHEMBL9316496 0.89 MEN1 (0.40) RIPK1KCNJ6KCNJ3KCNJ5MAPT
SCHEMBL9831199 0.88 MAPT (0.39) RIPK1KCNJ6KCNJ3KCNJ5MAPT
SCHEMBL9523052 0.88 RIPK1 (0.37) RIPK1KCNJ6KCNJ3KCNJ5MAPT
SCHEMBL9522374 0.87 RIPK1 (0.39) RIPK1KCNJ6KCNJ3KCNJ5MAPT
SCHEMBL9833256 0.87 RIPK1 (0.39) RIPK1KCNJ6KCNJ3KCNJ5LMNA

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-0420883-B1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5166152-A Immunostimulants, bactericides, viricides, antitumor agents FARMITALIA CARLO ERBA S.R.L. (IT) 1992-11-24 US disclosed
EP-0420883-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1991-04-10 EP disclosed
WO-1989012638-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1989-12-28 WO disclosed