SCHEMBL23255225

SCHEMBL23255225

C=CCn1c(Cl)nc2c1C(=O)NC(O)N2CCCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ FPR1 P21462 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ABL1 P00519 2/20 0.30
▸ RIN1 Q13671 2/20 0.30
▸ TDP1 Q9NUW8 2/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ PDE4B Q07343 1/20 0.30

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
SCHEMBL23731049 0.78 ABL1 (0.32) GAAABL1RIN1TDP1
SCHEMBL21389537 0.76 ABL1 (0.35) GAAALDH1A1ABL1RIN1TDP1
SCHEMBL21389532 0.74 ABL1 (0.33) GAAMEN1KMT2AABL1RIN1
SCHEMBL19505553 0.72 — —
SCHEMBL837200 0.64 ADORA2B (0.45) ALDH1A1HTTMEN1KMT2AUSP2
SCHEMBL835360 0.64 TSHR (0.52) ALDH1A1HTTMEN1KMT2AHSD17B10
SCHEMBL14618786 0.63 CYP3A4 (0.35) KMT2AUSP2CYP1A2TDP1PDE4A
SCHEMBL13247924 0.63 CYP1A2 (0.58) ALDH1A1HTTMEN1KMT2AUSP2
SCHEMBL836842 0.62 CYP1A2 (0.53) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL17993315 0.62 CYP1A2 (0.67) ALDH1A1HTTUSP2CYP1A2CYP2C19

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-3251675-B1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE SHANTON PHARMA PTE LTD (SG) 2021-04-21 — — EP disclosed
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