SCHEMBL5314213

SCHEMBL5314213

CCOc1ccc(-c2nc(-c3ccc(Cl)c(F)c3)c(CC(=O)O)s2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ PTGDR2 Q9Y5Y4 14/20 0.48
▸ MAPT P10636 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PPARD Q03181 2/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ THRB P10828 1/20 0.45

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
SCHEMBL5313547 0.94 KDM4E (0.55) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL5312909 0.93 KDM4E (0.54) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL5309893 0.92 PTGDR2 (0.47) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL5312710 0.88 MEN1 (0.58) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL5314738 0.86 PTGDR2 (0.48) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL5309133 0.85 PTGDR2 (0.48) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL19798165 0.85 PTGDR2 (0.56) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL5311836 0.83 PTGDR2 (0.49) MEN1KMT2AALDH1A1KDM4ERXFP1
SCHEMBL5311506 0.82 PTGDR2 (0.56) MEN1KMT2AALDH1A1KDM4EPTGDR2
SCHEMBL5417632 0.82 S1PR1 (0.53) ALDH1A1KDM4EPTGDR2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007051133-A2 SUBSTITUTED THIAZOLES AND THEIR USE MUTSUBISHI TANABE PHARMA CORPORATION (JP) 2007-05-03 — — WO claimed
WO-2007051133-A2 SUBSTITUTED THIAZOLES AND THEIR USE MUTSUBISHI TANABE PHARMA CORPORATION (JP) 2007-05-03 — — WO disclosed
WO-2007051133-A2 SUBSTITUTED THIAZOLES AND THEIR USE MUTSUBISHI TANABE PHARMA CORPORATION (JP) 2007-05-03 — — WO disclosed
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