SCHEMBL30240748

SCHEMBL30240748

O=C(NCCc1c[nH]c2ccccc12)c1ccccc1Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 18/20 1.00
▸ PTGS1 P23219 6/20 1.00
▸ MEN1 O00255 1/20 0.72
▸ KMT2A Q03164 1/20 0.72
▸ SIRT1 Q96EB6 1/20 0.72

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
SCHEMBL28852720 1.00 PTGS2 (1.00) PTGS2PTGS1MEN1KMT2ASIRT1
SCHEMBL28666497 0.91 PTGS2 (1.00) PTGS2PTGS1SIRT1
SCHEMBL28651534 0.91 PTGS2 (1.00) PTGS2PTGS1SIRT1
SCHEMBL28662567 0.91 PTGS2 (1.00) PTGS2PTGS1MEN1KMT2ASIRT1
SCHEMBL28671670 0.91 PTGS2 (1.00) PTGS2PTGS1MEN1KMT2ASIRT1
SCHEMBL28669159 0.88 PTGS2 (0.79) PTGS2PTGS1MEN1KMT2A
SCHEMBL28669150 0.88 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL28928726 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL28666576 0.88 PTGS2 (1.00) PTGS2PTGS1MEN1KMT2A
SCHEMBL28650076 0.88 PTGS2 (0.79) PTGS2PTGS1MEN1KMT2ASIRT1

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
CN-113387867-B Carbamate anthranilic tryptamine derivative and preparation and application thereof 南华大学 2023-03-14 — — CN disclosed
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