SCHEMBL28650503

SCHEMBL28650503

Cc1ncccc1Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 16/20 1.00
▸ PTGS1 P23219 4/20 0.71
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ SIRT1 Q96EB6 1/20 0.62

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
SCHEMBL28669222 0.86 PTGS1 (0.86) PTGS2PTGS1MEN1KMT2ASIRT1
SCHEMBL28674794 0.86 PTGS2 (0.75) PTGS2PTGS1MEN1KMT2ASIRT1
SCHEMBL28671663 0.84 PTGS2 (1.00) PTGS2PTGS1MEN1KMT2ASIRT1
SCHEMBL28195561 0.84 MEN1 (0.75) PTGS2PTGS1MEN1KMT2ASIRT1
SCHEMBL28292519 0.83 PTGS1 (1.00) PTGS2PTGS1MEN1KMT2ASIRT1
SCHEMBL28671672 0.83 PTGS2 (0.78) PTGS2PTGS1MEN1KMT2ASIRT1
SCHEMBL28669074 0.82 PTGS2 (1.00) PTGS2PTGS1MEN1KMT2ASIRT1
SCHEMBL28649901 0.82 PTGS2 (0.77) PTGS2PTGS1MEN1KMT2ASIRT1
SCHEMBL28669077 0.82 PTGS2 (1.00) PTGS2PTGS1MEN1KMT2ASIRT1
SCHEMBL28666623 0.82 PTGS1 (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113683552-B Tryptamine salicylic acid compound and preparation and application thereof 兰州大学 2024-03-19 — — CN disclosed
CN-113683552-A Tryptamine salicylic acid compound and preparation and application thereof 兰州大学 2021-11-23 — — CN disclosed
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