SCHEMBL9526191

SCHEMBL9526191

CC(NC(=O)C(C#N)C(=O)c1nn(-c2ccccc2)c2c1CSc1ccccc1-2)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.42
MAPT P10636 5/20 0.41
POLB P06746 2/20 0.40
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL9522447 0.87 MAPT (0.41) TP53MAPTRAB9AL3MBTL1KMT2A
SCHEMBL9827275 0.87 TP53 (0.41) TP53MAPTPOLBRAB9AL3MBTL1
SCHEMBL9522273 0.86 TP53 (0.40) TP53MAPTRAB9AL3MBTL1KMT2A
SCHEMBL9522270 0.86 TP53 (0.40) TP53MAPTRAB9AL3MBTL1KMT2A
SCHEMBL9832040 0.86 TP53 (0.43) TP53MAPTRAB9AL3MBTL1KMT2A
SCHEMBL9522928 0.86 TP53 (0.42) TP53MAPTRAB9AL3MBTL1KMT2A
SCHEMBL8111901 0.86 TP53 (0.42) TP53MAPTRAB9AL3MBTL1KMT2A
SCHEMBL9832793 0.85 TP53 (0.46) TP53MAPTRAB9AL3MBTL1KMT2A
SCHEMBL9525407 0.85 MAPT (0.41) TP53MAPTRAB9AL3MBTL1THRB
SCHEMBL9522614 0.84 MAPT (0.43) TP53MAPTRAB9AL3MBTL1THRB

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