SCHEMBL29952655

SCHEMBL29952655

Cc1ccc(B(O)O)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
CA2 P00918 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL10091339 1.00 HPGD (0.40) HPGDCA2LPLLIPGHTT
SCHEMBL16572154 0.91 HPGD (0.36) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL9562009 0.87 LPL (0.35) CA2LPLLIPG
SCHEMBL5917526 0.83 CA2 (0.37) HPGDCA2LPLLIPG
SCHEMBL31728833 0.79 NPC1 (0.32) HPGDCA2LPLLIPG
SCHEMBL698883 0.78 ALDH1A1 (0.40) CA2
SCHEMBL29469215 0.78 ALDH1A1 (0.40) CA2
SCHEMBL3839000 0.78 TUBB1 (0.38) CA2
SCHEMBL30064 0.78 ACHE (0.42) HPGDHTTL3MBTL1HDAC3HDAC4
SCHEMBL59883 0.77 CES2 (0.41) LPLLIPG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431358-A Pyrrolopyridines, compositions thereof and their use in medicine 中国科学院上海药物研究所 2025-02-14 CN disclosed
EP-4499612-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2025-02-05 EP disclosed
CN-118974020-A Substituted 3-aminoindazole derivatives as kinase inhibitors 内尔维亚诺医疗科学公司 2024-11-15 CN disclosed
WO-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed