SCHEMBL9523089

SCHEMBL9523089

COC(=O)CNC(=O)c1ccc2c(c1)-c1c(c(C(=O)C(C#N)C(=O)Nc3ccccc3)nn1-c1ccccc1)CS2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.38
MAPT P10636 7/20 0.37
LMNA P02545 1/20 0.37
XDH P47989 1/20 0.36
KDR P35968 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KLKB1 P03952 1/20 0.32

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
SCHEMBL9522751 0.96 TP53 (0.38) TP53MAPTLMNAXDHALDH1A1
SCHEMBL9522296 0.93 TP53 (0.37) TP53MAPTLMNAALDH1A1
SCHEMBL9522441 0.90 TP53 (0.44) TP53MAPTLMNAALDH1A1
SCHEMBL9523890 0.88 TP53 (0.35) TP53MAPTLMNAALDH1A1
SCHEMBL9523140 0.88 TP53 (0.37) TP53MAPTLMNAALDH1A1
SCHEMBL9172473 0.88 MAPK14 (0.37) MAPTXDHKDRALDH1A1
SCHEMBL9522233 0.87 KMT2A (0.44) TP53MAPTLMNAALDH1A1
SCHEMBL9523673 0.87 TP53 (0.35) TP53MAPTLMNA
SCHEMBL9522746 0.87 TP53 (0.37) TP53MAPTLMNA
SCHEMBL9523565 0.86 TAS1R3 (0.36) TP53MAPT

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 7 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 claimed
EP-0420883-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1991-04-10 EP claimed
WO-1989012638-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1989-12-28 WO claimed
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