SCHEMBL9523022

SCHEMBL9523022

COCCOCOCc1ccc2c(c1)-c1c(c(C(=O)Cl)nn1-c1ccccc1)CS2

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
TP53 P04637 8/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9522531 0.93 MAPT (0.43) MAPTTP53LMNAL3MBTL1
SCHEMBL9736649 0.89 TP53 (0.42) MAPTTP53LMNAL3MBTL1
SCHEMBL9256845 0.76 PIK3CD (0.38) MAPT
SCHEMBL9523265 0.76 TP53 (0.53) MAPTTP53L3MBTL1
SCHEMBL9525860 0.74 TP53 (0.38) MAPTTP53LMNA
SCHEMBL9525320 0.73 ALDH1A1 (0.47) MAPTTP53LMNA
SCHEMBL9526026 0.73 ALDH1A1 (0.48) MAPTTP53
SCHEMBL14730 0.70 CCNA2 (0.53) MAPTTP53
SCHEMBL9834278 0.69 TP53 (0.46) MAPTTP53LMNA
SCHEMBL12275859 0.69 PIK3CD (0.46) MAPTTP53LMNA

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