SCHEMBL28856532

SCHEMBL28856532

CC(C)(Sc1ccc(-c2ccnc3ccc(Br)cc23)s1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.48
▸ SLC22A12 Q96S37 11/20 0.42
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ RXFP1 Q9HBX9 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ PRNP P04156 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL29896812 1.00 PPARA (0.48) PPARASLC22A12MEN1KMT2ARXFP1
SCHEMBL28856481 0.91 PPARA (0.48) PPARASLC22A12MEN1KMT2ARXFP1
SCHEMBL28856510 0.88 PPARA (0.43) PPARASLC22A12
SCHEMBL29896814 0.88 PPARA (0.43) PPARASLC22A12
SCHEMBL28856562 0.87 PPARA (0.42) PPARASLC22A12
SCHEMBL29896818 0.87 PPARA (0.42) PPARASLC22A12
SCHEMBL29896802 0.86 SMN1; SMN2 (0.37) PPARASLC22A12MEN1KMT2ARXFP1
SCHEMBL28856550 0.86 SMN1; SMN2 (0.37) PPARASLC22A12MEN1KMT2ARXFP1
SCHEMBL29896734 0.84 PPARA (0.48) PPARASLC22A12
SCHEMBL28856531 0.84 SLC22A12 (0.58) PPARASLC22A12NPC1TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109608432-B Thiophene derivatives as URAT1 inhibitors 江苏艾立康医药科技有限公司 2022-10-11 — — CN disclosed
Send feedback