SCHEMBL7301479

SCHEMBL7301479

COc1ccc(-c2noc(C(C)Cl)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.57
NPC1 O15118 9/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
PPARD Q03181 1/20 0.57
PPARA Q07869 1/20 0.57
MAPT P10636 10/20 0.55
NPSR1 Q6W5P4 1/20 0.55
S1PR1 P21453 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
LMNA P02545 3/20 0.53
KDM4E B2RXH2 3/20 0.53
TSHR P16473 2/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
ATM Q13315 2/20 0.53
CASP1 P29466 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CASP3 P42574 1/20 0.50
POLB P06746 1/20 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
SCHEMBL7292683 0.89 RAB9A (0.59) RAB9ANPC1SMN1; SMN2PPARDPPARA
SCHEMBL11199479 0.82 NR1H4 (0.54) RAB9ANPC1SMN1; SMN2MAPTNR1H4
SCHEMBL18466548 0.82 PPARD (0.65) RAB9ANPC1SMN1; SMN2PPARDPPARA
SCHEMBL31553815 0.81 NPC1 (0.49) RAB9ANPC1SMN1; SMN2MAPTS1PR1
SCHEMBL10934713 0.80 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL31014722 0.80 RAB9A (0.46) RAB9ANPC1SMN1; SMN2PPARDPPARA
SCHEMBL12490994 0.78 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL5661097 0.75 RAB9A (0.68) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL22135769 0.74 MAPT (0.58) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL6328330 0.74 PPARD (0.56) RAB9ANPC1PPARDPPARAMAPT

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
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
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