SCHEMBL3249357

SCHEMBL3249357

CC(=O)Nc1cccc(-c2ccc(NC(=O)c3cccc(OC(F)(F)F)c3)nc2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
FYN P06241 1/20 0.53
TP53 P04637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
BRAF P15056 4/20 0.51
ABL1 P00519 5/20 0.50
BCR P11274 1/20 0.50
TSHR P16473 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL3247802 0.87 BRAF (0.58) NPC1RAB9ASMN1; SMN2FYNTP53
SCHEMBL3247981 0.85 PTGS1 (0.61) RAB9ABRAFABL1BCRTSHR
SCHEMBL3244240 0.83 BRAF (0.69) FYNBRAFABL1BCR
SCHEMBL3241930 0.82 FYN (0.51) FYNBRAF
SCHEMBL3247870 0.80 TSHR (0.67) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL14200588 0.80 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL3242880 0.80 BRAF (0.54) NPC1RAB9ASMN1; SMN2FYNBRAF
SCHEMBL3247799 0.79 ABL1 (0.60) BRAFABL1BCR
SCHEMBL3244837 0.79 FYN (0.57) FYNBRAF
SCHEMBL3242121 0.78 BRAF (0.53) NPC1RAB9ASMN1; SMN2FYNBRAF

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
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO claimed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed