SCHEMBL21635979

SCHEMBL21635979

COC(=O)c1cc(OC)c(OC)c(OC)c1Br

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
POLB P06746 2/20 0.65
USP2 O75604 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 1/20 0.59
PTPN1 P18031 1/20 0.57
MAPT P10636 2/20 0.56
RAB9A P51151 1/20 0.56
TSHR P16473 1/20 0.53
GAA P10253 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 1/20 0.49
THRB P10828 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL5658273 0.86 KDM4E (0.57) KDM4EPOLBUSP2HSD17B10ALDH1A1
SCHEMBL2113203 0.86 KDM4E (0.53) KDM4EPOLBUSP2HSD17B10ALDH1A1
SCHEMBL644549 0.86 KDM4E (0.56) KDM4EPOLBUSP2HSD17B10ALDH1A1
SCHEMBL4302772 0.84 LCK (0.59) KDM4EPOLBHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL3979015 0.83 KDM4E (0.57) KDM4EPOLBUSP2HSD17B10ALDH1A1
SCHEMBL26660999 0.82 MAPT (0.50) KDM4EPOLBUSP2HSD17B10ALDH1A1
SCHEMBL28257934 0.82 PTPN1 (0.57) KDM4EPOLBUSP2HSD17B10ALDH1A1
SCHEMBL11929030 0.81 KDM4E (0.69) KDM4EPOLBUSP2HSD17B10ALDH1A1
SCHEMBL16163314 0.81 SMN1; SMN2 (0.56) KDM4EPOLBUSP2HSD17B10ALDH1A1
SCHEMBL16163313 0.81 SMN1; SMN2 (0.56) KDM4EPOLBUSP2HSD17B10ALDH1A1

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
WO-2020016389-A1 THIOXANTHONE DERIVATIVES, COMPOSITION COMPRISING THE SAME AND PATTERN FORMING METHOD COMPRISING SAID COMPOSITION LINTFIELD LIMITED (GB) 2020-01-23 WO disclosed