SCHEMBL5372147

SCHEMBL5372147

COc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccc3c(c2)OCO3)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.66
ALDH1A1 P00352 10/20 0.66
RAB9A P51151 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
L3MBTL1 Q9Y468 4/20 0.66
SIRT1 Q96EB6 1/20 0.63
MAPT P10636 11/20 0.63
TP53 P04637 3/20 0.63
KDM4E B2RXH2 8/20 0.62
HPGD P15428 5/20 0.59
NPC1 O15118 2/20 0.59
NPSR1 Q6W5P4 3/20 0.57
MAPK1 P28482 3/20 0.57
NR1H4 Q96RI1 4/20 0.57
TDP1 Q9NUW8 2/20 0.55
PKM P14618 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL5370506 0.90 GAA (0.80) GAAALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5374835 0.84 MAPT (0.80) GAAALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5371356 0.83 NR1H4 (0.80) KDM4ENR1H4
SCHEMBL5364937 0.78 KDM4E (0.67) GAAALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL2253516 0.78 GAA (0.74) GAAALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL10077405 0.77 MAPT (1.00) GAAALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL5369551 0.76 KDM4E (0.75) GAARAB9AMAPTKDM4ENR1H4
SCHEMBL5421593 0.73 NR1H4 (0.81) GAAALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL2251270 0.73 GAA (0.68) GAAALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL12360676 0.72 MAPT (1.00) GAAALDH1A1SMN1; SMN2L3MBTL1MAPT

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-2007067711-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS FOR MODULATING TRPV1 AMPHORA DISCOVERY CORPORATION (US) 2007-06-14 WO claimed
WO-2007067711-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS FOR MODULATING TRPV1 AMPHORA DISCOVERY CORPORATION (US) 2007-06-14 WO disclosed