SCHEMBL6453692

SCHEMBL6453692

COc1cc(C(C)=O)c([AsH2])cc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SRD5A1 P18405 2/20 0.51
SRD5A2 P31213 2/20 0.51
SMPD1 P17405 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CTSV O60911 2/20 0.50
CTSL P07711 2/20 0.50

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
SCHEMBL7048751 0.88 SMPD1 (0.53) SMN1; SMN2NPC1HPGDRAB9AMAPT
SCHEMBL6458759 0.86 MAOB (0.58) SMN1; SMN2NPC1HPGDRAB9AMAPT
SCHEMBL6620047 0.85 HTT (0.64) SMN1; SMN2NPC1HPGDRAB9AMAPT
SCHEMBL15080744 0.85 SMN1; SMN2 (0.56) SMN1; SMN2NPC1HPGDRAB9AMAPT
SCHEMBL4469125 0.84 SMN1; SMN2 (0.52) SMN1; SMN2NPC1HPGDRAB9AMAPT
SCHEMBL12082074 0.84 SMPD1 (0.54) SMN1; SMN2NPC1HPGDRAB9AMAPT
SCHEMBL340527 0.84 SMN1; SMN2 (0.52) SMN1; SMN2NPC1HPGDRAB9AMAPT
SCHEMBL31564771 0.84 SMPD1 (0.54) SMN1; SMN2NPC1HPGDRAB9AMAPT
SCHEMBL30302025 0.84 SMPD1 (0.54) SMN1; SMN2NPC1HPGDRAB9AMAPT
SCHEMBL13070163 0.82 SMN1; SMN2 (0.48) SMN1; SMN2NPC1HPGDRAB9AMAPT

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
EP-0888310-B1 CINNOLINE DERIVATIVES AND USE AS MEDICINE ASTRAZENECA AB (SE) 2005-09-07 EP disclosed