SCHEMBL7833587

SCHEMBL7833587

CSc1ccc(C(Br)C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.42
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KMT2A Q03164 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
PDE4A P27815 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 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
SCHEMBL6516239 0.87 PLK1 (0.42) PLK1ALDH1A1LMNACES2CES1
SCHEMBL4988038 0.87 PLK1 (0.42) PLK1ALDH1A1KMT2ATAS1R3TAS1R1
SCHEMBL7843096 0.87 PLK1 (0.42) PLK1ALDH1A1LMNACES2CES1
SCHEMBL7843939 0.86 AKR1C3 (0.48) PLK1MAPTALDH1A1LMNACES2
SCHEMBL7089429 0.86 PLK1 (0.41) PLK1MAPTALDH1A1LMNACES2
SCHEMBL7508723 0.86 PLK1 (0.41) PLK1MAPTALDH1A1LMNACES2
SCHEMBL7845030 0.85 AKR1C3 (0.46) PLK1MAPTALDH1A1LMNACES2
SCHEMBL10889643 0.85 CES2 (0.48) PLK1ALDH1A1LMNACES2CES1
SCHEMBL5265061 0.83 CYP1A2 (0.51) MAPTALDH1A1LMNACES2CES1
SCHEMBL4867323 0.83 TSHR (0.50) PLK1MAPTGAAALDH1A1LMNA

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-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed