SCHEMBL9680174

SCHEMBL9680174

COc1cc(C(C)=O)cc(OCc2ccccc2)c1OC

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
HPGD P15428 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SMPD1 P17405 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MAOB P27338 2/20 0.54
RXRA P19793 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.52
ABCB1 P08183 1/20 0.52

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
SCHEMBL9680615 0.94 HPGD (0.58) NPC1HPGDRAB9ASMN1; SMN2SMPD1
SCHEMBL7168025 0.90 RXRA (0.62) NPC1HPGDRAB9ASMN1; SMN2SMPD1
SCHEMBL30102546 0.90 RXRA (0.62) NPC1HPGDRAB9ASMN1; SMN2SMPD1
SCHEMBL2343079 0.88 MAOB (0.59) NPC1HPGDRAB9ASMN1; SMN2SMPD1
SCHEMBL28903575 0.87 HPGD (0.66) NPC1HPGDRAB9ASMN1; SMN2SMPD1
SCHEMBL30102538 0.87 HPGD (0.66) NPC1HPGDRAB9ASMN1; SMN2SMPD1
SCHEMBL11762649 0.87 RXRA (0.61) NPC1HPGDRAB9ASMN1; SMN2SMPD1
SCHEMBL15673277 0.84 RXRA (0.62) NPC1HPGDRAB9ASMN1; SMN2SMPD1
SCHEMBL31025721 0.84 NPC1 (0.75) NPC1HPGDRAB9ASMN1; SMN2SMPD1
SCHEMBL11345190 0.84 GLRA1 (0.60) NPC1HPGDRAB9ASMN1; SMN2SMPD1

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-1992012981-A1 SUBSTITUTED PHENYL-1,3 DIOXOLOQUINOLINE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS GLAXO INC. (US) 1992-08-06 WO disclosed
EP-0496634-A1 Substituted phenyl-1,3-dioxoloquinoline derivatives and their use as antitumor agents GLAXO INC. (US) 1992-07-29 EP disclosed
US-5126351-A Inhibitors of topoisomerase GLAXO INC. (US) 1992-06-30 US disclosed