SCHEMBL29260754

SCHEMBL29260754

COCOc1ccccc1C1=CC(=O)NCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
HPGD P15428 1/20 0.34
PARP1 P09874 2/20 0.33
ADRB2 P07550 1/20 0.33
TRPM2 O94759 1/20 0.33
KCNN4 O15554 1/20 0.33
PDPK1 O15530 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTR7 P34969 1/20 0.33
EGFR P00533 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 1/20 0.32
PTGS2 P35354 1/20 0.32
BRD4 O60885 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL29892237 0.84 CCNT1 (0.48) CCNT1CDK9HPGDKDM4EHTR7
SCHEMBL31038587 0.82 CCNT1 (0.39) CCNT1CDK9HPGD
SCHEMBL7706105 0.81 KCNN4 (0.39) ADRB2KCNN4KDM4EHTR7EGFR
SCHEMBL29260764 0.80 CCNT1 (0.37) CCNT1CDK9PARP1PARP10PARP11
SCHEMBL30950381 0.80 CCNT1 (0.37) CCNT1CDK9PARP1PARP10PARP11
SCHEMBL7708733 0.79 MAPT (0.38) KCNN4EGFRL3MBTL1PTGS2BRD4
SCHEMBL31038547 0.73 BTK (0.37) CCNT1CDK9HTR7
SCHEMBL6048623 0.72 KCNN4 (0.49) HPGDADRB2KCNN4KDM4EHTR7
SCHEMBL7706809 0.69 PTGS2 (0.34) HPGDADRB2KCNN4KDM4EEGFR
SCHEMBL29892345 0.67 HPGD (0.54) HPGDPARP1PDPK1PARP10PARP11

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
CN-118271300-A Lactam compound, and preparation method and application thereof 广州市联瑞制药有限公司 2024-07-02 CN disclosed