SCHEMBL26831781

SCHEMBL26831781

Cc1cc(C(=O)N2CC[C@H](O)C2)n(C)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.43
▸ RAB9A P51151 1/20 0.40
▸ MAP2K1 Q02750 1/20 0.38
▸ HTR2C P28335 1/20 0.37
▸ CYP46A1 Q9Y6A2 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ LOXL2 Q9Y4K0 2/20 0.36
▸ CCNC P24863 2/20 0.36
▸ CDK8 P49336 2/20 0.36
▸ CDK19 Q9BWU1 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL27316797 0.78 GRM3 (0.38) ARRAB9AHTR2CTP53ALDH1A1
SCHEMBL26831785 0.74 HRH3 (0.51) ARRAB9ALMNAALDH1A1
SCHEMBL12121182 0.72 KMT2A (0.62) LMNAALDH1A1
SCHEMBL13486885 0.72 KMT2A (0.62) LMNAALDH1A1
SCHEMBL10195732 0.72 KMT2A (0.62) LMNAALDH1A1
SCHEMBL20158924 0.71 AR (0.44) ARLMNATP53
SCHEMBL22735368 0.71 CYP46A1 (0.54) RAB9ACYP46A1TP53ATMALDH1A1
SCHEMBL22735405 0.71 HTT (0.63) PDK2LMNA
SCHEMBL14220733 0.71 HTT (0.63) PDK2LMNA
SCHEMBL16403918 0.69 NPC1 (0.47) ARRAB9AHTR2CLMNAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024057020-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-03-21 — — WO disclosed
WO-2023223055-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-11-23 — — WO disclosed
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