SCHEMBL31154599

SCHEMBL31154599

CCc1cc2ccccc2[nH]c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.66
ALDH1A1 P00352 6/20 0.66
MAPT P10636 2/20 0.66
HPGD P15428 2/20 0.64
BRD4 O60885 1/20 0.61
HSD17B10 Q99714 3/20 0.60
CYP1A2 P05177 1/20 0.60
TSHR P16473 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
ALOX15 P16050 1/20 0.57
DAO P14920 1/20 0.56
DDO Q99489 1/20 0.56
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
IL4I1 Q96RQ9 2/20 0.55
GAA P10253 1/20 0.55
HIF1A Q16665 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
CHEK1 O14757 1/20 0.53

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
SCHEMBL1263927 1.00 KDM4E (0.66) KDM4EALDH1A1MAPTHPGDBRD4
Bicarbonate SCHEMBL6993932 0.93 MAPK1 (0.61) KDM4EALDH1A1MAPTHPGDBRD4
SCHEMBL13349416 0.87 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDBRD4
SCHEMBL26761838 0.83 KDM4E (0.69) KDM4EALDH1A1MAPTHPGDBRD4
SCHEMBL1370758 0.83 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDBRD4
SCHEMBL30162531 0.83 KDM4E (0.58) KDM4EALDH1A1MAPTHPGDBRD4
SCHEMBL9293635 0.83 KDM4E (0.58) KDM4EALDH1A1MAPTHPGDBRD4
SCHEMBL6402311 0.83 DAO (0.59) KDM4EALDH1A1HPGDBRD4HSD17B10
SCHEMBL17618004 0.83 KDM4E (0.58) KDM4EALDH1A1MAPTHPGDBRD4
SCHEMBL8873594 0.83 KDM4E (0.58) KDM4EALDH1A1MAPTHPGDBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025101892-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS AND USES THEREOF Astellas Engineered Small Molecules US, Incorporated (US) 2025-05-15 WO disclosed
US-20240400784-A1 Method for Screening Solvent for Extracting Polyvinyl Chloride, Method for Recycling Waste, Recycled Polyvinyl Chloride, and Composition LG CHEM, LTD. (KR) 2024-12-05 US disclosed
CN-118754853-A Preparation method and application of sulfonamide compound with BRD4 and PARP1 double-target inhibition effect 扬州大学 2024-10-11 CN disclosed