SCHEMBL9835538

SCHEMBL9835538

Cc1ccc2c(c1)-c1c(c(C(=O)CC#N)nn1-c1ccccc1)CS2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
TP53 P04637 5/20 0.51
LMNA P02545 3/20 0.51
PIK3CD O00329 2/20 0.42
PIK3R2 O00459 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
PIK3R5 Q8WYR1 2/20 0.42
PIK3R3 Q92569 2/20 0.42
POLB P06746 1/20 0.39
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 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
SCHEMBL9834001 0.88 MEN1 (0.48) MAPTTP53LMNAPIK3CDPIK3R2
SCHEMBL9833791 0.88 THRB (0.45) MAPTTP53PIK3CDPIK3R2PIK3CA
SCHEMBL2840559 0.88 TP53 (0.48) MAPTTP53THRB
SCHEMBL9834278 0.88 TP53 (0.46) MAPTTP53LMNAPIK3CDPIK3R2
SCHEMBL9835879 0.80 ALDH1A1 (0.45) MAPTTP53PIK3CDPIK3R2PIK3CA
SCHEMBL9833432 0.80 MAPT (0.44) MAPTTP53PIK3CDPIK3R2PIK3CA
SCHEMBL9831991 0.80 MAPT (0.52) MAPTTP53LMNAPIK3CDPIK3R2
SCHEMBL9831045 0.80 MAPT (0.50) MAPTTP53PIK3CDPIK3R2PIK3CA
SCHEMBL9834290 0.80 TP53 (0.52) MAPTTP53PIK3CDPIK3R2PIK3CA
SCHEMBL9832344 0.80 PIK3CD (0.43) MAPTTP53PIK3CDPIK3R2PIK3CA

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 3 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
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