SCHEMBL8375633

SCHEMBL8375633

Oc1cc(-c2cccc(Cl)c2)on1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
TP53 P04637 4/20 0.52
THRB P10828 1/20 0.52
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL6938529 0.79 NOTUM (0.61) RAB9ANPC1TP53THRBMAPK1
SCHEMBL5157687 0.79 RAB9A (0.61) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16373542 0.79 MAPK1 (0.55) RAB9ANPC1TP53THRBMAPK1
SCHEMBL481400 0.79 HSD17B1 (0.49) RAB9ANPC1TP53ALDH1A1MAPT
SCHEMBL16825991 0.79 NPC1 (0.50) RAB9ANPC1TP53THRBMAPK1
SCHEMBL17858736 0.79 RAB9A (0.45) RAB9ANPC1TP53ALDH1A1POLB
SCHEMBL2486578 0.78 PTPN1 (0.76) RAB9ANPC1TP53THRBMAPK1
SCHEMBL1544808 0.78 NOTUM (0.69) RAB9ANPC1TP53THRBMAPK1
SCHEMBL17084388 0.77 NPC1 (0.73) RAB9ANPC1TP53MAPTSMN1; SMN2
Water SCHEMBL28785293 0.77 HSD17B1 (0.44) RAB9ANPC1TP53MAPK1ALDH1A1

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 6 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
CN-1216986-A Isoxazole derivatives SANKYO CO (JP) 1999-05-19 CN disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed
US-5321037-A Isoxazole derivatives for use as cerebro-active drugs and central muscle relaxants SANKYO COMPANY, LIMITED (JP) 1994-06-14 US disclosed
EP-0335723-B1 ISOXAZOLE DERIVATIVES FOR USE AS CEREBRO-ACTIVE DRUGS AND CENTRAL MUSCLE RELAXANTS Sankyo Company Limited (JP) 1991-12-04 EP disclosed
EP-0335723-A1 Isoxazole derivatives for use as cerebro-active drugs and central muscle relaxants Sankyo Company Limited (JP) 1989-10-04 EP disclosed