SCHEMBL29264961

SCHEMBL29264961

O=C1Nc2ccc(NCc3cc(F)cc(F)c3)cc2C1=Cc1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 19/20 1.00
▸ NTRK3 Q16288 1/20 0.62
▸ PDPK1 O15530 1/20 0.60

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
SCHEMBL30997331 1.00 NTRK1 (1.00) NTRK1NTRK3PDPK1
SCHEMBL29264959 1.00 NTRK1 (1.00) NTRK1NTRK3PDPK1
SCHEMBL29265022 0.84 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL29265018 0.84 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL30997322 0.84 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL29264986 0.80 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL29264991 0.80 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL3747230 0.80 NTRK1 (0.65) NTRK1PDPK1
SCHEMBL29638268 0.80 NTRK1 (0.65) NTRK1PDPK1
SCHEMBL3747231 0.80 NTRK1 (0.65) NTRK1PDPK1

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-118221652-A Indol-2-one derivative and preparation method and application thereof 沈阳药科大学 2024-06-21 — — CN claimed
CN-118221652-A Indol-2-one derivative and preparation method and application thereof 沈阳药科大学 2024-06-21 — — CN disclosed
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