SCHEMBL29702097

SCHEMBL29702097

O=C(O)c1cccc2cnccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.60
NR4A2 P43354 1/20 0.60
NR4A3 Q92570 1/20 0.60
KDM4E B2RXH2 2/20 0.56
MAPKAPK2 P49137 1/20 0.56
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
LMNA P02545 1/20 0.52
PTPN1 P18031 1/20 0.51
CDC25B P30305 1/20 0.49
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4C Q9H3R0 2/20 0.47
KDM6B O15054 1/20 0.47

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
SCHEMBL117921 1.00 NR4A1 (0.60) NR4A1NR4A2NR4A3KDM4EMAPKAPK2
Water SCHEMBL5659378 0.98 NR4A1 (0.58) NR4A1NR4A2NR4A3KDM4EMAPKAPK2
SCHEMBL27598089 0.87 KDM4E (0.58) KDM4EMAPKAPK2CYP1A2CYP3A4CYP2D6
SCHEMBL15129900 0.86 NR4A1 (0.49) NR4A1NR4A2NR4A3KDM4EMAPKAPK2
SCHEMBL3837108 0.86 KDM4E (0.53) NR4A1NR4A2NR4A3KDM4EMAPKAPK2
SCHEMBL2223329 0.85 NR4A1 (0.60) NR4A1NR4A2NR4A3KDM4EMAPKAPK2
SCHEMBL31522172 0.85 NR4A1 (0.60) NR4A1NR4A2NR4A3KDM4EMAPKAPK2
SCHEMBL2380673 0.84 MCL1 (0.49) NR4A1NR4A2NR4A3KDM4EMAPKAPK2
SCHEMBL1828133 0.84 KDM4E (0.55) KDM4EMAPKAPK2CYP1A2CYP3A4CYP2D6
SCHEMBL17040876 0.84 KDM4E (0.55) KDM4EMAPKAPK2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119591645-A Isoquinoline-5-formic acid coordinated catalyst, composite catalyst, preparation method and application 上海元革新材料科技有限公司 2025-03-11 CN claimed
CN-121591799-A Isoquinoline-5-formic acid coordinated catalyst, composite catalyst, preparation method and application 上海元革新材料科技有限公司 2026-03-03 CN disclosed
CN-121591799-A Isoquinoline-5-formic acid coordinated catalyst, composite catalyst, preparation method and application 上海元革新材料科技有限公司 2026-03-03 CN disclosed
CN-119591645-A Isoquinoline-5-formic acid coordinated catalyst, composite catalyst, preparation method and application 上海元革新材料科技有限公司 2025-03-11 CN disclosed
CN-119591645-A Isoquinoline-5-formic acid coordinated catalyst, composite catalyst, preparation method and application 上海元革新材料科技有限公司 2025-03-11 CN disclosed
CN-119591645-A Isoquinoline-5-formic acid coordinated catalyst, composite catalyst, preparation method and application 上海元革新材料科技有限公司 2025-03-11 CN disclosed
CN-114539254-A Preparation method of polycyclic condensed indole isoquinoline compound 内蒙古大学 2022-05-27 CN disclosed