SCHEMBL5360223

SCHEMBL5360223

Cc1ccc2c(c1)CCCN2C(O)=S

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 8/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TSHR P16473 3/20 0.54
HTT P42858 1/20 0.54
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
NOTUM Q6P988 1/20 0.54
POLB P06746 1/20 0.53
GAA P10253 1/20 0.52
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CHRM2 P08172 1/20 0.47

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
SCHEMBL4026091 0.84 KDM4E (0.71) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL156256 0.81 NOTUM (0.82) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL9392589 0.79 KDM4E (0.69) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL23752365 0.79 KDM4E (0.69) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL13525164 0.77 KDM4E (0.66) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL26763833 0.77 KDM4E (0.66) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL13524325 0.77 KDM4E (0.66) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL6127792 0.77 KDM4E (0.66) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL11710635 0.77 KDM4E (0.66) KDM4EALDH1A1NPSR1MEN1KMT2A
SCHEMBL5356749 0.76 MAPT (0.73) KDM4EALDH1A1NPSR1MEN1KMT2A

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-2007146230-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-12-21 WO claimed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed