SCHEMBL30880266

SCHEMBL30880266

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.57
▸ ACACA Q13085 2/20 0.57
▸ MITF O75030 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ S1PR1 P21453 1/20 0.46
▸ S1PR3 Q99500 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ FFAR1 O14842 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42

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 0.81 ACACB (0.57) ACACBACACAMITFTP53NCOA3
SCHEMBL30880252 0.81 ACACB (0.56) ACACBACACAMITFTP53NCOA3
SCHEMBL23588077 0.77 ACACB (0.52) ACACBACACAMITFTP53NCOA3
SCHEMBL23578438 0.77 ACACB (0.64) ACACBACACAMITFTP53NCOA3
SCHEMBL30880261 0.76 ACACB (0.51) ACACBACACAMITFTP53NCOA3
SCHEMBL13926724 0.75 ACACB (0.65) ACACBACACAMITFTP53NCOA3
SCHEMBL7295131 0.74 ACACB (0.97) ACACBACACAMITFTP53NCOA3
SCHEMBL26027547 0.73 ACACB (0.61) ACACBACACAS1PR1S1PR3NPC1
SCHEMBL23588315 0.73 TP53 (0.50) ACACBACACAMITFTP53NCOA3
SCHEMBL35210439 0.71 S1PR1 (0.67) ACACBACACATP53S1PR1S1PR3

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
Send feedback