SCHEMBL9220158

SCHEMBL9220158

CCOC(=O)c1c[nH]c(Br)c1-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
MDM2 Q00987 1/20 0.50
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
GCGR P47871 1/20 0.46
ALPL P05186 1/20 0.46
ABCC1 P33527 1/20 0.46
CACNA1D Q01668 2/20 0.45
LMNA P02545 4/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRB2 P47870 1/20 0.44
MAPK1 P28482 1/20 0.44
PRKCZ Q05513 1/20 0.44

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
SCHEMBL1156113 0.86 JAK2 (0.52) MDM2ALDH1A1KDM4EHPGDLMNA
SCHEMBL2658810 0.80 TP53 (0.50) TP53MDM2ALDH1A1KDM4EHPGD
SCHEMBL15882405 0.78 GCGR (0.57) TP53MDM2ALDH1A1KDM4EHPGD
SCHEMBL8665147 0.78 TP53 (0.45) TP53MDM2ALDH1A1KDM4EHPGD
SCHEMBL8665022 0.77 PRKCZ (0.52) TP53MDM2ALDH1A1KDM4EHPGD
SCHEMBL31029 0.77 JAK2 (0.57) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL15497049 0.75 TP53 (0.52) TP53MDM2ALDH1A1KDM4EHPGD
SCHEMBL1156930 0.75 GABRA1 (0.50) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL15334465 0.74 SMN1; SMN2 (0.49) TP53MDM2ALDH1A1KDM4EHPGD
SCHEMBL4949580 0.74 SIRT2 (0.50) TP53ALDH1A1KDM4EHPGDGCGR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5455263-A Administering substituted arylpyrrole compounds AMERICAN CYANAMID COMPANY (US) 1995-10-03 US disclosed
US-5310938-A Miticides, insecticides, parasiticides, and anthelmintics AMERICAN CYANAMID COMPANY (US) 1994-05-10 US disclosed
EP-0312723-B1 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID CO (US) 1993-12-22 EP disclosed
US-5010098-A Arylpyrrole insecticidal acaricidal and nematicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-04-23 US disclosed
US-4929634-A ARYLPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1990-05-29 US disclosed
EP-0358047-A2 Method of controlling phytopathogenic fungi AMERICAN CYANAMID COMPANY (US) 1990-03-14 EP disclosed
EP-0347488-A1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1989-12-27 EP disclosed
EP-0312723-A2 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP disclosed