SCHEMBL29190072

SCHEMBL29190072

Cn1cnnc1-c1c(-c2ccccc2)cccc1-n1cnc2cc(C(=O)O)cc(C(F)(F)F)c21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD11B1 P28845 2/20 0.35
▸ S1PR1 P21453 3/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ HCAR1 Q9BXC0 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ FGFR1 P11362 1/20 0.32
▸ NTRK1 P04629 4/20 0.32
▸ FABP4 P15090 1/20 0.32
▸ FABP5 Q01469 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
SCHEMBL29190070 0.86 CBLB (0.42) CBLBHSD11B1S1PR1S1PR3SCN9A
SCHEMBL29190075 0.85 HSD11B1 (0.42) CBLBHSD11B1HCAR1
SCHEMBL29190036 0.78 CBLB (0.36) CBLBHSD11B1S1PR1S1PR3HDAC11
SCHEMBL29190004 0.77 DPP4 (0.35) CBLBHSD11B1HCAR1
SCHEMBL29190081 0.74 CBLB (0.38) CBLBLMNAHSD11B1S1PR1S1PR3
SCHEMBL24820285 0.72 SCN9A (0.38) CBLBALDH1A1HPGDHSD11B1HDAC11
SCHEMBL30153353 0.72 SCN9A (0.38) CBLBS1PR1S1PR3SCN9A
SCHEMBL30152588 0.72 SCN9A (0.38) CBLBALDH1A1HPGDHSD11B1HDAC11
SCHEMBL24818728 0.72 SCN9A (0.38) CBLBS1PR1S1PR3SCN9A
SCHEMBL29189967 0.72 KMT2A (0.37) CBLBHSD11B1S1PR1S1PR3SCN9A

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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