SCHEMBL27363885

SCHEMBL27363885

CC(=O)c1cnn(Cc2ccc(C(C)=O)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KLKB1 P03952 10/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KCNJ1 P48048 1/20 0.40
▸ KLK1 P06870 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37

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
SCHEMBL19300037 0.82 HSD17B10 (0.51) HSD17B10ALDH1A1HTTLMNAMAPT
SCHEMBL30744539 0.81 PPARD (0.42) HSD17B10ALDH1A1HTTLMNAMAPT
SCHEMBL21493002 0.81 PPARD (0.42) HSD17B10ALDH1A1HTTLMNAMAPT
SCHEMBL17229366 0.81 KLKB1 (0.51) HSD17B10ALDH1A1HTTLMNAMAPT
SCHEMBL27364232 0.81 KLKB1 (0.53) HSD17B10ALDH1A1HTTLMNAMAPT
SCHEMBL27286142 0.79 HSD17B10 (0.68) HSD17B10ALDH1A1HTTLMNAMAPT
SCHEMBL752774 0.79 LMNA (0.61) HSD17B10ALDH1A1HTTLMNAMAPT
SCHEMBL13692389 0.79 L3MBTL1 (0.54) HSD17B10ALDH1A1HTTLMNAMAPT
SCHEMBL27259482 0.78 KLKB1 (0.51) HSD17B10ALDH1A1HTTLMNAMAPT
SCHEMBL30730236 0.78 HSD17B10 (0.48) HSD17B10ALDH1A1MAPK1KLKB1KDM4E

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-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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