SCHEMBL30880261

SCHEMBL30880261

C=C(Cc1nc(-c2ccc(OCCCC)cc2)no1)c1nnn[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.51
▸ ACACA Q13085 2/20 0.51
▸ CYP19A1 P11511 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MITF O75030 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ S1PR3 Q99500 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ FFAR1 O14842 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 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
SCHEMBL30880253 0.78 CYP2C9 (0.46) ACACBACACACYP19A1CYP2C9CYP2C19
SCHEMBL23578433 0.76 ACACB (0.57) ACACBACACAMITFTP53NCOA3
SCHEMBL30880266 0.76 ACACB (0.57) ACACBACACACYP19A1CYP2C9CYP2C19
SCHEMBL30880252 0.75 ACACB (0.56) ACACBACACAMITFTP53NCOA3
SCHEMBL23588077 0.72 ACACB (0.52) ACACBACACAMITFTP53NCOA3
SCHEMBL23578438 0.72 ACACB (0.64) ACACBACACAMITFTP53NCOA3
SCHEMBL13926724 0.70 ACACB (0.65) ACACBACACAMITFTP53NCOA3
SCHEMBL7295131 0.70 ACACB (0.97) ACACBACACAMITFTP53NCOA3
SCHEMBL26027547 0.68 ACACB (0.61) ACACBACACACYP19A1CYP2C9CYP2C19
SCHEMBL23588315 0.68 TP53 (0.50) 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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