SCHEMBL3247795

SCHEMBL3247795

CCC(=O)Nc1cccc(-c2ccc(Nc3cccc(OC(F)(F)F)c3)nc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSC P53634 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
KDR P35968 3/20 0.46
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
MAP4K4 O95819 1/20 0.45
EGFR P00533 1/20 0.44
FYN P06241 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
P2RY14 Q15391 1/20 0.44

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 0.89 BRAF (0.58) BRAFNPC1RAB9ATP53SMN1; SMN2
SCHEMBL3244032 0.87 KDR (0.48) BRAFCTSCKDRFYN
SCHEMBL3235430 0.82 CTSC (0.46) BRAFCTSCEGFRFYNCYP3A4
SCHEMBL3242880 0.82 BRAF (0.54) BRAFNPC1RAB9ASMN1; SMN2CTSC
SCHEMBL30865845 0.82 MTNR1A (0.57) NPC1RAB9AMTNR1AMTNR1B
SCHEMBL26623324 0.82 MTNR1A (0.57) NPC1RAB9AMTNR1AMTNR1B
SCHEMBL3247799 0.81 ABL1 (0.60) BRAFCTSCEGFR
SCHEMBL3244240 0.81 BRAF (0.69) BRAFFYN
SCHEMBL3245571 0.81 ABL1 (0.59) CTSCEGFR
SCHEMBL3245277 0.81 ABL1 (0.55) CTSCCYP3A4CYP2D6CYP2C19

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