SCHEMBL9307047

SCHEMBL9307047

c1ccc(OCc2ncno2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
NPC1 O15118 6/20 0.51
TDP1 Q9NUW8 3/20 0.51
MAPK1 P28482 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 4/20 0.49
POLB P06746 1/20 0.49
KCNH2 Q12809 1/20 0.46
TSHR P16473 3/20 0.45
MAPT P10636 3/20 0.44
HSD17B10 Q99714 2/20 0.43
HPGD P15428 2/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL31433144 0.81 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPC1TDP1MAPK1
SCHEMBL7007243 0.71 RAB9A (0.50) RAB9ASMN1; SMN2NPC1TDP1MAPK1
SCHEMBL6002649 0.69 RAB9A (0.51) RAB9ASMN1; SMN2NPC1TDP1MAPK1
SCHEMBL28996301 0.69 RAB9A (0.51) RAB9ASMN1; SMN2NPC1TDP1MAPK1
SCHEMBL10547054 0.69 NPC1 (0.59) RAB9ASMN1; SMN2NPC1TDP1MAPK1
SCHEMBL31524105 0.68
SCHEMBL18404750 0.68 RAB9A (0.51) RAB9ASMN1; SMN2NPC1TDP1MAPK1
SCHEMBL28564941 0.67 SMN1; SMN2 (0.63) RAB9ASMN1; SMN2NPC1TDP1MAPK1
SCHEMBL850999 0.65 APP (0.78) RAB9ASMN1; SMN2L3MBTL1ALDH1A1MAPT
Benzylphenylether SCHEMBL61660 0.65 LMNA (0.74) RAB9ASMN1; SMN2L3MBTL1MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5326774-A 3-methyl-5-(2-(3-tert-butylamino-2-hydroxypropoxy)phenoxy-methyl) -1,2,4-oxadiazole hydrochloride MASHOVSKY MIKHAIL D 1994-07-05 US disclosed
WO-1993009106-A1 DERIVATIVES OF 5-PHENOXYMETHYL-1,2,4-OXADIAZOL, THEIR SALTS, METHOD OF OBTAINING THEM AND A PHARMACEUTICAL PREPARATION WITH ANTIHYPERTENSIVE, ANTIANGINAL, ANTIARRHYTHMIC AND ANTIGLAUCOMATOMIC PROPERTIES BASED ON THEM TSENTR PO KHIMII LEKARSTVENNYKH SREDSTV (SU) 1993-05-13 WO disclosed
WO-1993009106-A1 DERIVATIVES OF 5-PHENOXYMETHYL-1,2,4-OXADIAZOL, THEIR SALTS, METHOD OF OBTAINING THEM AND A PHARMACEUTICAL PREPARATION WITH ANTIHYPERTENSIVE, ANTIANGINAL, ANTIARRHYTHMIC AND ANTIGLAUCOMATOMIC PROPERTIES BASED ON THEM TSENTR PO KHIMII LEKARSTVENNYKH SREDSTV (SU) 1993-05-13 WO disclosed