SCHEMBL28856508

SCHEMBL28856508

Cc1ccc2nccc(-c3ccc(SC4CCC4C(=O)O)s3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.39
▸ PTGDR2 Q9Y5Y4 3/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KCNK2 O95069 1/20 0.33
▸ KCNK4 Q9NYG8 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CAMKK1 Q8N5S9 1/20 0.32
▸ CAMKK2 Q96RR4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 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
SCHEMBL28856490 0.89 SLC22A12 (0.40) SLC22A12NPC1KMT2ACAMKK1CAMKK2
SCHEMBL28856507 0.89 SLC22A12 (0.39) SLC22A12
SCHEMBL28954997 0.88 SLC22A12 (0.42) SLC22A12CAMKK1CAMKK2
SCHEMBL28856557 0.88 SLC22A12 (0.34) SLC22A12PTGDR2HTR1AADRA1DADRA1A
SCHEMBL28856496 0.86 CA12 (0.39) SLC22A12PTGDR2NPC1RAB9AKMT2A
SCHEMBL28856509 0.86 SLC22A12 (0.41) SLC22A12ACVR1ABL1
SCHEMBL28856546 0.83 SLC22A12 (0.40) SLC22A12NPC1KMT2ACAMKK1CAMKK2
SCHEMBL28856491 0.83 SLC22A12 (0.39) SLC22A12NPC1KMT2ARXFP1
SCHEMBL28856565 0.82 SLC22A12 (0.41) SLC22A12NPC1RAB9AKMT2ACAMKK1
SCHEMBL28856483 0.80 SMN1; SMN2 (0.34) SLC22A12NPC1KMT2AGAAMAPT

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
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