SCHEMBL27286149

SCHEMBL27286149

COC(=O)c1ccccc1Cn1cc(C(C)=O)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
NPBWR1 P48145 1/20 0.46
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL27376022 0.90 L3MBTL1 (0.47) LMNAALDH1A1NPBWR1AGTR1AGTR2
SCHEMBL27286278 0.86 LMNA (0.37) LMNAALDH1A1NPBWR1AGTR1AGTR2
SCHEMBL27378931 0.85 NPBWR1 (0.43) LMNAALDH1A1NPBWR1AGTR1AGTR2
SCHEMBL27286147 0.85 L3MBTL1 (0.43) LMNAALDH1A1KDM4EPOLBHPGD
SCHEMBL19087043 0.84 ALDH1A1 (0.53) LMNAALDH1A1NPBWR1AGTR1AGTR2
SCHEMBL30736732 0.83 NPBWR1 (0.41) LMNAALDH1A1NPBWR1AGTR1AGTR2
SCHEMBL19077852 0.82 NPBWR1 (0.46) LMNAALDH1A1NPBWR1AGTR1AGTR2
SCHEMBL27286140 0.79 ALDH1A1 (0.62) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL30736709 0.77 L3MBTL1 (0.44) LMNAALDH1A1POLBHPGDMAPT
SCHEMBL27286280 0.75 MAOA (0.49) ALDH1A1KDM4EMEN1KMT2AMAPT

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
WO-2024026486-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2024026484-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed