SCHEMBL26950330

SCHEMBL26950330

CCc1ccc(C)cc1-c1cncc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.42
▸ PARP11 Q9NR21 1/20 0.42
▸ CYP11B2 P19099 8/20 0.37
▸ CYP11B1 P15538 6/20 0.37
▸ CYP17A1 P05093 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ KDM1A O60341 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PIM1 P11309 2/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 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
SCHEMBL26923618 0.83 PARP10 (0.39) PARP10PARP11CYP11B2CYP11B1CYP17A1
SCHEMBL26948394 0.80 PARP10 (0.43) PARP10PARP11CYP11B2CYP11B1CYP17A1
SCHEMBL27018669 0.78 PARP10 (0.45) PARP10PARP11CYP11B2CYP11B1CYP17A1
SCHEMBL23249804 0.76 PARP10 (0.43) PARP10PARP11CYP11B2CYP11B1CYP17A1
SCHEMBL29890183 0.76 PARP10 (0.43) PARP10PARP11CYP11B2CYP11B1CYP17A1
SCHEMBL26950329 0.74 CYP11B1 (0.57) PARP10PARP11CYP11B2CYP11B1PRMT5
SCHEMBL9720728 0.73 MAOA (0.44) SRC
SCHEMBL12947928 0.72 CYP11B2 (0.50) PARP10PARP11CYP11B2CYP11B1HDAC1
SCHEMBL3094265 0.71 PTGDR2 (0.50) CYP3A4
SCHEMBL28760897 0.68 TDO2 (0.48) CYP11B2CYP11B1TDO2PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023240084-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2023-12-14 — — WO disclosed
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