SCHEMBL29189977

SCHEMBL29189977

Cn1cnnc1-c1c(-c2ccccc2)ccc(F)c1-c1nc2cc(CNC[C@H]3CCCO3)cc(C(F)(F)F)c2o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ CBLB Q13191 1/20 0.34
▸ S1PR1 P21453 5/20 0.33
▸ S1PR3 Q99500 5/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ FNTA P49354 1/20 0.33

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
SCHEMBL29189979 1.00 L3MBTL1 (0.35) L3MBTL1ATMKDM4ETP53HPGD
SCHEMBL29189986 0.90 S1PR1 (0.36) CBLBS1PR1S1PR3VSIR
SCHEMBL29189949 0.90 S1PR1 (0.36) CBLBS1PR1S1PR3VSIR
SCHEMBL29190104 0.90 S1PR1 (0.36) CBLBS1PR1S1PR3VSIR
SCHEMBL29190117 0.89 MAPT (0.39) L3MBTL1ATMKDM4ETP53HPGD
SCHEMBL29190058 0.89 MAPT (0.39) L3MBTL1ATMKDM4ETP53HPGD
SCHEMBL29190061 0.89 MAPT (0.39) L3MBTL1ATMKDM4ETP53HPGD
SCHEMBL29189931 0.88 VSIR (0.36) CBLBS1PR1S1PR3VSIR
SCHEMBL29189982 0.87 S1PR1 (0.35) CBLBS1PR1S1PR3VSIR
SCHEMBL29189916 0.87 S1PR1 (0.35) CBLBS1PR1S1PR3VSIR

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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