SCHEMBL8550522

SCHEMBL8550522

CC(Br)C(=O)c1ccc(I)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.40
GSK3B P49841 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
ALDH1A1 P00352 5/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
ALOX12 P18054 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
MYC P01106 1/20 0.32
NR4A1 P22736 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
RAF1 P04049 1/20 0.31

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
SCHEMBL1922201 0.82 SMN1; SMN2 (0.55) SMN1; SMN2TSHRCASP1ALDH1A1GAA
SCHEMBL8393015 0.81 HPGD (0.45) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL1922910 0.81 MAPK1 (0.46) TSHRALDH1A1MAPTPOLBMAPK1
SCHEMBL1922880 0.77 JAK2 (0.49) ALDH1A1GAAMAPTPOLBMAPK1
SCHEMBL8549332 0.76 CA12 (0.35) SMN1; SMN2TSHRCASP1ALDH1A1GAA
SCHEMBL7127279 0.76 MAP2K1 (0.41) MAP2K1SMN1; SMN2TSHRCASP1ALDH1A1
SCHEMBL7532012 0.76 PDE2A (0.51) GSK3BSMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL5747509 0.74 CES2 (0.54) ALDH1A1MAPTPOLBCYP1A2NPC1
SCHEMBL30529376 0.74 CES2 (0.54) ALDH1A1MAPTPOLBCYP1A2NPC1
SCHEMBL1164647 0.74 TSHR (0.42) MAP2K1SMN1; SMN2TSHRCASP1ALDH1A1

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-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
EP-0576350-B1 Branched alkylamino thiazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-10-29 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
US-5464847-A Moduators of corticotropin releasing factor ELF SANOFI (FR) 1995-11-07 US disclosed
EP-0659747-A1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-06-28 EP disclosed
EP-0576350-A1 Branched alkylamino thiozole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-12-29 EP disclosed