SCHEMBL9522751

SCHEMBL9522751

COC(=O)CNC(=O)c1ccc2c(c1)-c1c(c(C(=O)C(C#N)C(=O)Nc3ccc(F)cc3)nn1-c1ccccc1)CS2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.38
RIPK1 Q13546 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPT P10636 6/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
IKBKB O14920 3/20 0.34
XDH P47989 1/20 0.34
THRB P10828 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 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
SCHEMBL9523089 0.96 TP53 (0.38) TP53MAPTLMNAALDH1A1XDH
SCHEMBL9522296 0.89 TP53 (0.37) TP53MAPTLMNAALDH1A1
SCHEMBL9173782 0.88 MAPK14 (0.42) RIPK1MAPK14LMNAMEN1KMT2A
SCHEMBL9522441 0.86 TP53 (0.44) TP53MAPTLMNAKMT2AALDH1A1
SCHEMBL9832532 0.85 ALDH1A1 (0.42) TP53RIPK1MAPTLMNAMEN1
SCHEMBL9522542 0.84 TP53 (0.40) TP53RIPK1MAPTLMNAALDH1A1
SCHEMBL9523140 0.84 TP53 (0.37) TP53MAPK14MAPTLMNAALDH1A1
SCHEMBL9523890 0.84 TP53 (0.35) TP53MAPTLMNAMEN1KMT2A
SCHEMBL9316088 0.84 TP53 (0.44) TP53RIPK1MAPTLMNAKMT2A
SCHEMBL9522614 0.84 MAPT (0.43) TP53MAPTTHRB

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