SCHEMBL31477679

SCHEMBL31477679

CC(C)(C)OC(=O)/N=C/c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GRIN2D O15399 2/20 0.42
▸ GRIN3B O60391 2/20 0.42
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2A Q12879 2/20 0.42
▸ GRIN2B Q13224 2/20 0.42
▸ GRIN2C Q14957 2/20 0.42
▸ GRIN3A Q8TCU5 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ MAOB P27338 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL29219560 0.83 ALDH1A1 (0.43) NPC1RAB9AALDH1A1CYP1A2SMN1; SMN2
SCHEMBL12522736 0.83 ALDH1A1 (0.43) NPC1RAB9AALDH1A1CYP1A2SMN1; SMN2
SCHEMBL10216723 0.82 GRIN2D (0.47) NPC1RAB9AALDH1A1GRIN2DGRIN3B
SCHEMBL410414 0.81 ALDH1A1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2GRIN2D
SCHEMBL8870633 0.78 RAB9A (0.46) NPC1RAB9AALDH1A1CYP1A2SMN1; SMN2
SCHEMBL8870630 0.78 RAB9A (0.46) NPC1RAB9AALDH1A1CYP1A2SMN1; SMN2
SCHEMBL10056240 0.77 MAPT (0.44) NPC1RAB9ASMN1; SMN2CYP2C19MAPT
SCHEMBL3462265 0.77 MAPT (0.44) NPC1RAB9ASMN1; SMN2CYP2C19MAPT
SCHEMBL887447 0.77 MAPT (0.44) NPC1RAB9ASMN1; SMN2CYP2C19MAPT
SCHEMBL381142 0.76 ALDH1A1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2GAA

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-2025085564-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 — — WO disclosed
WO-2025085554-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 — — WO disclosed
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