SCHEMBL23129791

SCHEMBL23129791

CCC(C)(C)Sc1ccc2ncccc2c1-c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 9/20 0.47
▸ P2RX7 Q99572 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ MET P08581 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ SLC11A2 P49281 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 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
SCHEMBL19562917 0.88 SLC22A12 (0.51) SLC22A12P2RX7MAPKAPK2HSD11B1MET
SCHEMBL17899837 0.82 SLC22A12 (0.54) SLC22A12P2RX7
SCHEMBL17899839 0.82 SLC22A12 (0.70) SLC22A12
SCHEMBL23129259 0.76 SLC22A12 (0.38) SLC22A12P2RX7MAPKAPK2HSD11B1SYK
SCHEMBL28388332 0.74 SLC22A12 (0.46) SLC22A12P2RX7MAPKAPK2HSD11B1SYK
SCHEMBL28387584 0.72 ELANE (0.40) SLC22A12P2RX7SYKKDM4EMAPT
SCHEMBL19435524 0.72 IL1B (0.45) MAPKAPK2HSD11B1MAP4K4TDO2KDM4E
SCHEMBL19435494 0.72 GAK (0.44) MAPKAPK2HSD11B1SYKMAP4K4KDM4E
SCHEMBL19435459 0.70 ELANE (0.41) SLC22A12P2RX7
SCHEMBL17899867 0.69 SLC22A12 (0.46) SLC22A12P2RX7HSD11B1KDM4E

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
EP-3241822-B1 URAT1 INHIBITOR NIPPON CHEMIPHAR CO (JP) 2021-03-24 — — EP disclosed
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