SCHEMBL30880252

SCHEMBL30880252

C=C(Cc1nc(-c2ccc(OCCCC)cc2)no1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.56
▸ ACACA Q13085 2/20 0.56
▸ MITF O75030 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ NCOA3 Q9Y6Q9 1/20 0.51
▸ MAPT P10636 3/20 0.48
▸ FFAR1 O14842 1/20 0.46
▸ S1PR1 P21453 1/20 0.46
▸ S1PR3 Q99500 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ATM Q13315 1/20 0.45

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
SCHEMBL23578433 0.90 ACACB (0.57) ACACBACACAMITFTP53NCOA3
SCHEMBL23578438 0.85 ACACB (0.64) ACACBACACAMITFTP53NCOA3
SCHEMBL23588077 0.85 ACACB (0.52) ACACBACACAMITFTP53NCOA3
SCHEMBL23588315 0.81 TP53 (0.50) ACACBACACAMITFTP53NCOA3
SCHEMBL30880266 0.81 ACACB (0.57) ACACBACACAMITFTP53NCOA3
SCHEMBL23588220 0.77 FFAR1 (0.46) ACACBACACAMITFTP53NCOA3
SCHEMBL27291369 0.77 MITF (0.43) ACACBACACAMITFTP53NCOA3
SCHEMBL27291464 0.76 NPC1 (0.41) ACACBACACAMITFTP53NCOA3
SCHEMBL30880261 0.75 ACACB (0.51) ACACBACACAMITFTP53NCOA3
SCHEMBL23588141 0.75 GSTP1 (0.43) ACACBACACAMITFTP53NCOA3

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-2024089421-A1 TETRAZOLE DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2024-05-02 — — WO disclosed
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