SCHEMBL27807928

SCHEMBL27807928

COc1ccc(CN2Cc3nc4c(-c5ccccc5C(F)(F)F)cccc4c(N)c3C2C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 2/20 0.38
▸ WDR48 Q8TAF3 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ENPP1 P22413 2/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KLK7 P49862 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ GAA P10253 2/20 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
SCHEMBL27807992 0.85 KDM4E (0.36) LMNAALDH1A1MAPTGABRG2GABRB3
SCHEMBL27807969 0.83 HRH4 (0.34) POLBENPP1ENPP3LMNAALDH1A1
SCHEMBL27785954 0.83 GABRG2 (0.42) GABRG2GABRB3GABRA2HCRTR2
SCHEMBL27786138 0.83 GABRG2 (0.42) GABRG2GABRB3GABRA2
SCHEMBL27785944 0.83 BCL2L11 (0.33) LMNAMAPTGABRG2GABRB3GABRA2
SCHEMBL27786008 0.82 CYP11B1 (0.41) TLR7
SCHEMBL28787429 0.82 HRH4 (0.35) POLBENPP1ENPP3ALDH1A1KMT2A
SCHEMBL27807911 0.82 HRH4 (0.35) L3MBTL1LMNAALDH1A1MAPTGAA
SCHEMBL28787406 0.82 CD38 (0.33) POLBL3MBTL1MEN1KMT2AMAPT
SCHEMBL2661594 0.78 USP1 (0.40) USP1WDR48POLBENPP1ENPP3

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-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 — — CN claimed
CN-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 — — CN disclosed
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