SCHEMBL8545974

SCHEMBL8545974

COc1cc(Cl)c(C(=O)C(C)Br)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
NPSR1 Q6W5P4 4/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
STAT3 P40763 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 3/20 0.41
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
CCR6 P51684 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38

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
SCHEMBL5453679 0.87 ALDH1A1 (0.39) ALDH1A1NPSR1MAPTKDM4ESTAT3
SCHEMBL27460228 0.87 GLA (0.41) ALDH1A1NPSR1MAPTKDM4ESTAT3
SCHEMBL8021936 0.83 MAPT (0.43) ALDH1A1NPSR1MAPTKDM4ESTAT3
SCHEMBL8549332 0.82 CA12 (0.35) ALDH1A1HPGDHTTSMN1; SMN2GAA
SCHEMBL2730020 0.77 ALDH1A1 (0.49) ALDH1A1NPSR1MAPTKDM4EHPGD
SCHEMBL1922880 0.75 JAK2 (0.49) ALDH1A1NPSR1MAPTHPGDHTT
SCHEMBL8393057 0.75 FLT1 (0.49) ALDH1A1MAPTHTTLMNAKMT2A
SCHEMBL18840053 0.75 GAA (0.49) ALDH1A1NPSR1MAPTKDM4EHPGD
SCHEMBL10917649 0.75 CYP3A4 (0.53) ALDH1A1NPSR1MAPTKDM4EHPGD
SCHEMBL2476221 0.75 GAA (0.62) ALDH1A1NPSR1MAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5821255-A REGULATING THE SECRETION OF CORTICOTROPIN, BETA-ENDORPHIN OR PEPTIDES DERIVED FROM PROOPIOMELANOCORTIN SANOFI (FR) 1998-10-13 US disclosed
EP-0659747-B1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-04-01 EP disclosed
US-5602132-A USEFUL IN TREATMENT OF PATHOLOGIES INVOLVING CORTICOTROPIN RELEASING FACTOR SANOFI (FR) 1997-02-11 US disclosed
CN-1127252-A Branched-amino-sbustituted thiazoles, processes for their preparation and the pharmaceutical compositions which contain them SANOFI SA (FR) 1996-07-24 CN disclosed
EP-0659747-A1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-06-28 EP disclosed