SCHEMBL6169033

SCHEMBL6169033

O=C(Cc1ccncc1)c1ccc(CS)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP17A1 P05093 1/20 0.44
MAPT P10636 3/20 0.43
SRD5A2 P31213 2/20 0.42
ALDH1A1 P00352 4/20 0.42
PLOD2 O00469 2/20 0.42
PLOD3 O60568 2/20 0.42
PLOD1 Q02809 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP19A1 P11511 3/20 0.40

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
SCHEMBL6203734 0.85 ALDH1A1 (0.55) RAB9ANPC1L3MBTL1HDAC1HDAC6
SCHEMBL6283084 0.82 RAB9A (0.56) RAB9ANPC1L3MBTL1HDAC1HDAC6
SCHEMBL6775249 0.81 NPC1 (0.62) RAB9ANPC1L3MBTL1HDAC1HDAC6
SCHEMBL4102938 0.80 L3MBTL1 (0.68) RAB9ANPC1L3MBTL1MAPTCYP3A4
SCHEMBL2512740 0.80 RAB9A (0.64) RAB9ANPC1L3MBTL1CYP1A2CYP3A4
SCHEMBL2645324 0.80 LTA4H (0.58) RAB9ANPC1L3MBTL1MAPTALDH1A1
SCHEMBL7433779 0.80 LMNA (0.58) RAB9ANPC1L3MBTL1HDAC1HDAC6
SCHEMBL1157353 0.79 ALDH1A1 (0.66) L3MBTL1MAPTSRD5A2ALDH1A1PLOD2
SCHEMBL6283043 0.79 KMT2A (0.57) RAB9ANPC1L3MBTL1HDAC1HDAC6
Hydrochloric Acid SCHEMBL5253545 0.79 LTA4H (0.56) RAB9ANPC1L3MBTL1MAPTSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP disclosed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 EP disclosed
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP disclosed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 WO disclosed