SCHEMBL3504606

SCHEMBL3504606

ClC(Cl)(Cl)c1nc(-c2ccc(OCc3ccccc3)cc2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 1/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC8 Q9BY41 2/20 0.52
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SMPD1 P17405 3/20 0.51
HDAC5 Q9UQL6 2/20 0.50
PPARD Q03181 5/20 0.49
PPARA Q07869 5/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
S1PR1 P21453 1/20 0.47
FFAR1 O14842 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
SCHEMBL3504608 0.86 HDAC1 (0.50) MAPK1TDP1TSHRHDAC1HDAC6
SCHEMBL17707864 0.82 NR1H4 (0.61) MAPK1TDP1TSHRRAB9ANPC1
SCHEMBL21543796 0.82 HDAC6 (0.73) MAPK1TDP1TSHRHDAC1HDAC6
SCHEMBL3061817 0.81 NR1H4 (0.64) MAPK1TDP1TSHRRAB9ANPC1
SCHEMBL3634573 0.80 NR1H4 (0.57) MAPK1TDP1TSHRRAB9ANPC1
SCHEMBL7295337 0.80 RAB9A (0.59) MAPK1TDP1TSHRRAB9ANPC1
SCHEMBL3057378 0.77 PPARD (0.58) MAPK1TDP1TSHRRAB9ANPC1
SCHEMBL3504473 0.77 ACACB (0.65) MAPK1TDP1TSHRRAB9ANPC1
SCHEMBL3056578 0.76 NR1H4 (0.74) TDP1RAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL3506414 0.76 TUBB4A (0.55) MAPK1TDP1TSHRRAB9ANPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0504574-B1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same WAKAMOTO PHARMA CO LTD (JP) 1996-02-28 EP claimed
US-5356916-A Treating Parkinson*s disease WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1994-10-18 US claimed
EP-0504574-A1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-23 EP claimed
US-20100247543-A1 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS, S.A. (ES) 2010-09-30 US disclosed
EP-2195029-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES Oryzon Genomics SA (ES) 2010-06-16 EP disclosed
WO-2009027349-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS SA (ES) 2009-03-05 WO disclosed
EP-0504574-B1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same WAKAMOTO PHARMA CO LTD (JP) 1996-02-28 EP disclosed
US-5356916-A Treating Parkinson*s disease WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1994-10-18 US disclosed
EP-0504574-A1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-23 EP disclosed