SCHEMBL6451894

SCHEMBL6451894

COc1ccc(-c2csc(C(=O)Nc3ccccc3C(=O)O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.52
▸ PRSS12 P56730 1/20 0.51
▸ MEN1 O00255 9/20 0.50
▸ KMT2A Q03164 9/20 0.50
▸ MAPT P10636 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ TRPA1 O75762 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ DHODH Q02127 1/20 0.50
▸ CHEK1 O14757 1/20 0.49
▸ PIM1 P11309 1/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.48
▸ POLB P06746 1/20 0.48
▸ HTT P42858 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MAPK1 P28482 2/20 0.47

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
SCHEMBL12900086 0.91 HCAR2 (0.53) HCAR2PRSS12MEN1KMT2AMAPT
SCHEMBL6868933 0.91 TSHR (0.57) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL1308034 0.85 MEN1 (0.66) PRSS12MEN1KMT2ANPC1RAB9A
SCHEMBL12900110 0.83 RAB9A (0.52) HCAR2MEN1KMT2ANPC1RAB9A
SCHEMBL1308594 0.78 ALAD (0.63) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14338416 0.77 F10 (0.77) HCAR2MEN1KMT2AMAPTNPC1
SCHEMBL12900109 0.76 ALDH1A1 (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL12900087 0.75 MCL1 (0.52) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6451868 0.75 RAB9A (0.54) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14855681 0.75 F10 (0.72) HCAR2MEN1KMT2AMAPTNPC1

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
EP-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 — — EP claimed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 — — WO claimed
EP-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 — — EP disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 — — WO disclosed
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 — — EP disclosed
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