SCHEMBL29150861

SCHEMBL29150861

CCOc1ncc(-c2ccccc2C#N)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ GRM5 P41594 1/20 0.41
▸ PIP4K2A P48426 2/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP1A2 P05177 3/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ SQOR Q9Y6N5 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 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
SCHEMBL29150859 0.78 CYP11B2 (0.46) L3MBTL1GAAPIP4K2APDE10AMAPT
SCHEMBL1132618 0.74 PIP4K2A (0.48) L3MBTL1GAAGRM5PIP4K2APDE10A
SCHEMBL29150862 0.71 ALDH1A1 (0.38) L3MBTL1KDM4EMAPTCYP1A2MEN1
SCHEMBL29150809 0.70 SCN9A (0.44) L3MBTL1GAAPDE10ATDP1KDM4E
SCHEMBL29150813 0.70 KDM4E (0.44) L3MBTL1KDM4EMAPTCYP1A2MEN1
SCHEMBL25433487 0.70 PIP4K2A (0.59) L3MBTL1GAAGRM5PIP4K2APDE10A
SCHEMBL7036549 0.69 HPGD (0.44) L3MBTL1TDP1KDM4EMAPTCYP1A2
SCHEMBL249966 0.69 L3MBTL1 (0.49) L3MBTL1GAATDP1KDM4EMAPT
SCHEMBL6960961 0.69 ESR2 (0.54) L3MBTL1GAAGRM5PIP4K2AKDM4E
SCHEMBL17001219 0.69 MAPT (0.43) L3MBTL1GAAKDM4EMAPTCYP1A2

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 2 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 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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