SCHEMBL27290290

SCHEMBL27290290

Cc1cnccc1CCC(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SIRT3 Q9NTG7 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ AOC1 P19801 4/20 0.33
▸ AOC3 Q16853 4/20 0.33
▸ ADAMTS4 O75173 1/20 0.32
▸ BUB1 O43683 1/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.32
▸ FDPS P14324 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ GSK3B P49841 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
SCHEMBL6628774 0.77 TKT (0.39) GPR119ALDH1A1KDM4ESIRT3TDP1
SCHEMBL873728 0.75 CYP2E1 (0.49) TDP1AOC1AOC3LOXL2TRPA1
SCHEMBL22493354 0.74 HRH4 (0.37) GPR119ALDH1A1KDM4EMAPTNOTUM
SCHEMBL12870192 0.73 AOC1 (0.36) GPR119ALDH1A1KDM4EMAPTSIRT3
SCHEMBL14945019 0.73 TAAR1 (0.52) SIRT3TDP1AOC1AOC3LOXL2
SCHEMBL1448227 0.72 — —
SCHEMBL18924363 0.72 TDP1 (0.43) ALDH1A1KDM4EMAPTTDP1AOC1
SCHEMBL21983945 0.72 TAAR1 (0.50) ALDH1A1KDM4ENOTUMTRPA1
SCHEMBL23599089 0.71 NPSR1 (0.53) SIRT3TDP1NOTUM
SCHEMBL18888245 0.70 TDP1 (0.39) ALDH1A1KDM4ETDP1

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
WO-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 — — WO disclosed
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