SCHEMBL29190109

SCHEMBL29190109

CC(NCc1cc(C(F)(F)F)c2oc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)nc2c1)C1CCC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 6/20 0.34
▸ S1PR1 P21453 9/20 0.33
▸ S1PR3 Q99500 7/20 0.33
▸ CBLB Q13191 3/20 0.32
▸ CBL P22681 1/20 0.31

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
SCHEMBL29190106 1.00 MDM2 (0.34) MDM2S1PR1S1PR3CBLBCBL
SCHEMBL29190103 0.92 S1PR1 (0.33) S1PR1S1PR3CBLB
SCHEMBL29189954 0.89 MDM2 (0.31) MDM2
SCHEMBL29189955 0.89 MDM2 (0.31) MDM2
SCHEMBL29189982 0.89 S1PR1 (0.35) S1PR1S1PR3CBLB
SCHEMBL29189916 0.89 S1PR1 (0.35) S1PR1S1PR3CBLB
SCHEMBL29189949 0.88 S1PR1 (0.36) S1PR1S1PR3CBLB
SCHEMBL29189986 0.87 S1PR1 (0.36) S1PR1S1PR3CBLB
SCHEMBL29190104 0.87 S1PR1 (0.36) S1PR1S1PR3CBLB
SCHEMBL29190128 0.86 VSIR (0.35) S1PR1S1PR3CBLB

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-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
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