SCHEMBL29150812

SCHEMBL29150812

CCOc1ncc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ METAP2 P50579 3/20 0.41
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NR3C1 P04150 1/20 0.34
▸ CACNA2D1 P54289 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ MAT2A P31153 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
SCHEMBL30679192 0.81 L3MBTL1 (0.41) L3MBTL1KDM4EATMSMN1; SMN2HPGD
SCHEMBL30679186 0.79 KDM4E (0.49) L3MBTL1KDM4EATMMETAP2ALDH1A1
SCHEMBL29150862 0.75 ALDH1A1 (0.38) L3MBTL1KDM4EATMHPGDMETAP2
SCHEMBL24433961 0.75 KDM4E (0.50) L3MBTL1KDM4EATMHPGDMETAP2
SCHEMBL17125576 0.74 L3MBTL1 (0.62) L3MBTL1KDM4EATMMAPTALDH1A1
SCHEMBL29150860 0.74 CYP11B1 (0.48) KDM4ESMN1; SMN2HPGDMAPTALDH1A1
SCHEMBL16410042 0.74 L3MBTL1 (0.72) L3MBTL1KDM4EATMMAPTALDH1A1
SCHEMBL15850742 0.74 L3MBTL1 (0.72) L3MBTL1KDM4EATMMAPTALDH1A1
SCHEMBL30679188 0.74 PRKCZ (0.49) L3MBTL1KDM4EATM
SCHEMBL26813201 0.73 L3MBTL1 (0.60) L3MBTL1KDM4EATMMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143017-B Method for constructing isoquinoline compound based on aryl migration strategy, hole transport material molecule and preparation method thereof, perovskite solar cell and preparation method thereof 广东工业大学 2026-05-19 — — CN claimed
CN-117143017-A Method for constructing isoquinoline compound based on aryl migration strategy, hole transport material molecule and preparation method thereof, perovskite solar cell and preparation method thereof 广东工业大学 2023-12-01 — — CN claimed
CN-117143017-B Method for constructing isoquinoline compound based on aryl migration strategy, hole transport material molecule and preparation method thereof, perovskite solar cell and preparation method thereof 广东工业大学 2026-05-19 — — CN disclosed
CN-117143017-A Method for constructing isoquinoline compound based on aryl migration strategy, hole transport material molecule and preparation method thereof, perovskite solar cell and preparation method thereof 广东工业大学 2023-12-01 — — CN disclosed
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