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SCHEMBL25977633

SCHEMBL25977633

CC(C)(C)C1=C/C(=C/c2ccccc2)C=C(C(C)(C)CCC(C)(C)C2=C/C(=C/C=N)C=C(C(C)(C)C)C2=O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31
▸ CYP24A1 Q07973 1/20 0.30
▸ ACHE P22303 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
SCHEMBL24118938 0.86 NPC1 (0.41) NPC1KMT2AATMGPR35SMN1; SMN2
Hno SCHEMBL6475533 0.82 ATM (0.54) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL86407 0.82 ATM (0.56) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL24236846 0.81 KMT2A (0.41) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL23034270 0.78 ATM (0.41) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL2475739 0.77 KMT2A (0.41) NPC1KMT2AATMGPR35SMN1; SMN2
Benzoquinone SCHEMBL28737726 0.77 ATM (0.51) NPC1KMT2AATMGPR35SMN1; SMN2
Benzoquinone SCHEMBL23209758 0.76 KMT2A (0.50) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL19730332 0.74 KMT2A (0.66) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL38660251 0.74 ATM (0.55) NPC1KMT2AATMGPR35SMN1; SMN2

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
US-20230241675-A1 COMPOSITIONS, COMPRISING PLATELET-SHAPED TRANSITION METAL PARTICLES BASF SE (DE) 2023-08-03 — — US disclosed