SCHEMBL8375508

SCHEMBL8375508

ONc1cc(-c2ccc(Cl)cc2)on1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.57
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
CDH1 P12830 1/20 0.49
CTNNB1 P35222 1/20 0.49
TCF7L2 Q9NQB0 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 3/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
THRB P10828 2/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL11280000 0.81 NPC1 (0.53) NOTUMNPC1RAB9ACDH1CTNNB1
SCHEMBL10869005 0.77 SMN1; SMN2 (0.55) NOTUMNPC1RAB9ACDH1CTNNB1
SCHEMBL6938529 0.77 NOTUM (0.61) NOTUMNPC1RAB9ACDH1CTNNB1
Acetic Acid Methyl Ester SCHEMBL9550215 0.75 CDH1 (0.50) NOTUMNPC1RAB9ACDH1CTNNB1
SCHEMBL11283034 0.75 THRB (0.50) NOTUMNPC1RAB9ACDH1CTNNB1
SCHEMBL18489825 0.75 NPC1 (0.86) NOTUMNPC1RAB9AMAPTHPGD
SCHEMBL11285150 0.74 RAB9A (0.64) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL16401815 0.73 NPC1 (0.56) NOTUMNPC1RAB9ACDH1CTNNB1
SCHEMBL11276075 0.73 NPC1 (0.56) NOTUMNPC1RAB9ACDH1CTNNB1
SCHEMBL7904001 0.73 MAPT (0.64) NOTUMNPC1RAB9ACDH1CTNNB1

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
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed