SCHEMBL29951868

SCHEMBL29951868

[C-]#[N+]c1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.40
▸ ACP1 P24666 1/20 0.34
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ TMPRSS4 Q9NRS4 1/20 0.31
▸ CES2 O00748 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
SCHEMBL29951501 0.84 CES2 (0.41) CES2
SCHEMBL13208373 0.79 GABRA1 (0.33) —
SCHEMBL29952416 0.77 RXRA (0.33) CES2
SCHEMBL1082212 0.77 NOTUM (0.50) NOTUMACP1S1PR1S1PR3TAS2R14
SCHEMBL131138 0.77 NOTUM (0.50) NOTUMACP1S1PR1S1PR3TAS2R14
SCHEMBL12707881 0.75 IDO1 (0.36) —
SCHEMBL1445873 0.74 NOTUM (0.48) NOTUMACP1S1PR1S1PR3TAS2R14
SCHEMBL12707886 0.71 IDO1 (0.40) —
SCHEMBL12707880 0.71 RXRA (0.42) CES2
SCHEMBL29365971 0.69 NOTUM (0.44) NOTUMACP1S1PR1S1PR3TAS2R14

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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