SCHEMBL3245277

SCHEMBL3245277

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.55
KIF11 P52732 2/20 0.50
BCR P11274 1/20 0.50
CTSC P53634 1/20 0.48
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
USP2 O75604 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK10 P53779 2/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 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 0.83 BRAF (0.58) ABL1CTSCMEN1KMT2AMAPT
SCHEMBL3244032 0.82 KDR (0.48) CTSC
SCHEMBL3247964 0.81 CTSC (0.49) ABL1KIF11BCRCTSCCYP3A4
SCHEMBL3247795 0.81 BRAF (0.46) CTSCCYP3A4CYP2D6CYP2C19
SCHEMBL28058379 0.80 KIF11 (0.60) ABL1KIF11SLC22A12
SCHEMBL3234950 0.80 CTSC (0.52) ABL1CTSCCYP1A2CYP3A4CYP2D6
SCHEMBL3247799 0.80 ABL1 (0.60) ABL1BCRCTSC
SCHEMBL3245571 0.79 ABL1 (0.59) ABL1BCRCTSCMAPTMAPK1
SCHEMBL3246352 0.79 CTSC (0.53) KIF11CTSCMEN1KMT2AMAPT
SCHEMBL3235430 0.79 CTSC (0.46) ABL1CTSCCYP3A4CYP2D6CYP2C19

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