SCHEMBL28856496

SCHEMBL28856496

O=C(O)C1CCC1Sc1ccc(-c2ccnc3ccccc23)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.39
▸ CA1 P00915 4/20 0.39
▸ CA2 P00918 4/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ CAMKK1 Q8N5S9 1/20 0.39
▸ CAMKK2 Q96RR4 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PTK2B Q14289 1/20 0.37
▸ SLC22A12 Q96S37 2/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL28856508 0.86 SLC22A12 (0.39) CAMKK1CAMKK2NPC1TP53MAPT
SCHEMBL28856507 0.85 SLC22A12 (0.39) SLC22A12IDO1
SCHEMBL28856490 0.85 SLC22A12 (0.40) CAMKK1CAMKK2SMN1; SMN2NPC1TP53
SCHEMBL28856491 0.85 SLC22A12 (0.39) NPC1SLC22A12KMT2A
SCHEMBL28856505 0.85 ALDH1A1 (0.35) CA12CA1CA2CA9CAMKK1
SCHEMBL28954997 0.85 SLC22A12 (0.42) CAMKK1CAMKK2SLC22A12
SCHEMBL28856509 0.83 SLC22A12 (0.41) SLC22A12ACVR1IDO1
SCHEMBL28856553 0.81 SLC22A12 (0.31) SLC22A12
SCHEMBL28955000 0.81 HPGD (0.34) MAPTSLC22A12LMNAMAPK1KMT2A
SCHEMBL28856504 0.80 SLC22A12 (0.33) SLC22A12CYP1A2

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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