SCHEMBL851867

SCHEMBL851867

Cc1nc(-c2ccccc2)sc1CC=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 5/20 0.47
TP53 P04637 2/20 0.47
THRB P10828 2/20 0.47
NPC1 O15118 2/20 0.47
FFAR1 O14842 2/20 0.46
PPARD Q03181 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL5747523 0.84 RAB9A (0.52) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL14198403 0.84 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL1679708 0.84 CYP3A4 (0.54) ALDH1A1MAPTGAALMNANPC1
SCHEMBL5691228 0.81 NPC1 (0.54) ALDH1A1MAPTGAANPC1FFAR1
SCHEMBL6840453 0.80 L3MBTL1 (0.55) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL2413521 0.78 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL1569202 0.78 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL3077683 0.78 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL28155818 0.78 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL379217 0.78 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTGAAHPGD

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-2432771-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
WO-2010135360-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed