SCHEMBL29517618

SCHEMBL29517618

CSc1ccccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
THRB P10828 1/20 0.55
BLM P54132 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 6/20 0.50
TSHR P16473 1/20 0.50
ALOX5 P09917 1/20 0.46
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
BACE1 P56817 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ABCB1 P08183 2/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL173014 1.00 LMNA (0.55) LMNAKMT2AMEN1THRBBLM
SCHEMBL16935337 0.98 LMNA (0.52) LMNAKMT2AMEN1THRBBLM
SCHEMBL6536177 0.83 LMNA (0.46) LMNAKMT2AMEN1THRBBLM
SCHEMBL3196146 0.80 KMT2A (0.60) LMNAKMT2AMEN1THRBBLM
SCHEMBL20005510 0.79 CDK4 (0.52) LMNAKMT2AMEN1THRBBLM
SCHEMBL986274 0.79 ERN1 (0.55) LMNAKMT2AMEN1THRBBLM
SCHEMBL4800076 0.78 ALOX5 (0.43) LMNAKMT2AMEN1THRBBLM
SCHEMBL9732046 0.76 LMNA (0.55) LMNAKMT2AMEN1THRBBLM
SCHEMBL5950805 0.76 ALOX5 (0.42) LMNAKMT2AMEN1THRBBLM
SCHEMBL8973253 0.76 LMNA (0.55) LMNAKMT2AMEN1THRBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151553-B Boric acid derivatives 首药控股(北京)股份有限公司 2025-06-13 CN disclosed
CN-119816484-A Novel piperazine derivative or salt thereof and pharmaceutical composition 富士胶片株式会社 2025-04-11 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-115151553-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-10-04 CN disclosed
CN-114364664-A BCAT modulation 伊卡根有限责任公司 2022-04-15 CN disclosed