SCHEMBL9523749

SCHEMBL9523749

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.40
THRB P10828 1/20 0.39
MAPT P10636 5/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL9522803 0.91 TP53 (0.39) TP53THRBMAPTRAB9AL3MBTL1
SCHEMBL9834217 0.88 TP53 (0.43) TP53THRBMAPTPTGS1PTGS2
SCHEMBL9170542 0.86 CCNA2 (0.34)
SCHEMBL9832793 0.85 TP53 (0.46) TP53THRBMAPTPTGS1PTGS2
SCHEMBL9522928 0.84 TP53 (0.42) TP53THRBMAPTPTGS1PTGS2
SCHEMBL8113736 0.84 TP53 (0.45) TP53THRBMAPTPTGS1PTGS2
SCHEMBL9339764 0.84 TP53 (0.45) TP53THRBMAPTPTGS1PTGS2
SCHEMBL9316737 0.81 TP53 (0.49) TP53THRBMAPTPTGS1PTGS2
SCHEMBL8111901 0.80 TP53 (0.42) TP53THRBMAPTPTGS1PTGS2
SCHEMBL9834310 0.79 TP53 (0.46) TP53THRBMAPTRAB9AL3MBTL1

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