SCHEMBL29653552

SCHEMBL29653552

COc1ccc(B(O)O)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.44
ENPP2 Q13822 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
LIPE Q05469 1/20 0.39
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38

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
SCHEMBL41862 1.00 EPHX2 (0.44) EPHX2ENPP2CA1CA2PGR
SCHEMBL12261025 0.89 L3MBTL1 (0.48) ENPP2PGRARL3MBTL1MAPT
SCHEMBL16105643 0.85 ENPP2 (0.44) EPHX2ENPP2CA1CA2PGR
SCHEMBL3563846 0.81 LMNA (0.42) ARL3MBTL1LMNAGAAMAPT
SCHEMBL3140749 0.81 PDK2 (0.41) EPHX2
SCHEMBL29952840 0.81 PDK2 (0.41) EPHX2
SCHEMBL29955103 0.81 LMNA (0.42) ARL3MBTL1LMNAGAAMAPT
SCHEMBL14165389 0.80 CA1 (0.49) CA1CA2AR
SCHEMBL1436749 0.78 PDK2 (0.44) CA1CA2L3MBTL1MAPT
SCHEMBL4628852 0.78 EPHX2 (0.46) EPHX2CA1CA2PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119591542-A ADAR1 small molecule inhibitor, pharmaceutical composition and application thereof 深圳市新樾生物科技有限公司 2025-03-11 CN disclosed
EP-4504733-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2025-02-12 EP 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-114867528-B Antibacterial quinolines 社会医疗技术员技术股份公司 2024-03-19 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
CN-113861188-B Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor 杭州医学院 2023-02-28 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-114867528-A Antibacterial quinolines 社会医疗技术员技术股份公司 2022-08-05 CN disclosed
WO-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 WO disclosed