SCHEMBL29673320

SCHEMBL29673320

N#Cc1cc(-c2nc(-c3ccc4c(c3)CC(=C3CC=CO3)N4)no2)ccc1NCC1CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 18/20 0.36
▸ S1PR3 Q99500 7/20 0.36
▸ KCNH2 Q12809 3/20 0.34
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL23084622 0.85 S1PR1 (0.44) S1PR1S1PR3TP53POLB
SCHEMBL29771163 0.85 S1PR1 (0.44) S1PR1S1PR3TP53POLB
SCHEMBL30355471 0.81 S1PR1 (0.52) S1PR1S1PR3TP53POLB
SCHEMBL23524322 0.81 S1PR1 (0.52) S1PR1S1PR3TP53POLB
SCHEMBL23524125 0.80 S1PR1 (0.40) S1PR1S1PR3KCNH2TP53POLB
SCHEMBL23524098 0.77 S1PR1 (0.44) S1PR1S1PR3KCNH2TP53POLB
SCHEMBL30355761 0.77 S1PR1 (0.44) S1PR1S1PR3KCNH2TP53POLB
SCHEMBL23524160 0.74 S1PR1 (0.39) S1PR1S1PR3KCNH2TP53POLB
SCHEMBL30355639 0.74 S1PR1 (0.39) S1PR1S1PR3KCNH2TP53POLB
SCHEMBL23084685 0.74 S1PR1 (0.40) S1PR1S1PR3TP53POLB

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-114585360-A Methods of using the same for the treatment of epilepsy 特维娜有限公司 2022-06-03 — — CN disclosed
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