SCHEMBL28856484

SCHEMBL28856484

CCOC(=O)C1CCC1Sc1ccc(-c2ccnc3ccc(F)cc23)s1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CDK9 P50750 3/20 0.38
▸ CCNT1 O60563 2/20 0.38
▸ IDO1 P14902 8/20 0.37
▸ PTPN1 P18031 1/20 0.34
▸ NMT2 O60551 1/20 0.34
▸ NMT1 P30419 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ AAK1 Q2M2I8 3/20 0.33
▸ PDE10A Q9Y233 1/20 0.33

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
SCHEMBL28856557 0.92 SLC22A12 (0.34) MAPTTP53POLBCDK9CCNT1
SCHEMBL28856483 0.90 SMN1; SMN2 (0.34) MAPTTP53KDM4EGAAATM
SCHEMBL28856533 0.89 SLC22A12 (0.36) CDK9CCNT1KDM4E
SCHEMBL28856505 0.87 ALDH1A1 (0.35) TP53POLBKDM4ENPSR1L3MBTL1
SCHEMBL28856477 0.87 SLC22A12 (0.35) CDK9IDO1KDM4EATM
SCHEMBL28856507 0.86 SLC22A12 (0.39) IDO1
SCHEMBL28954999 0.84 SLC22A12 (0.34) MAPTTP53KDM4EGAANPSR1
SCHEMBL28856503 0.84 MAPK1 (0.34) MAPTTP53CDK9CCNT1KDM4E
SCHEMBL28856485 0.83 SLC22A12 (0.35) MAPTTP53KDM4EGAAATM
SCHEMBL28856508 0.80 SLC22A12 (0.39) MAPTTP53KDM4EGAA

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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