SCHEMBL3244704

SCHEMBL3244704

FC(F)(F)Oc1cccc(Nc2ccc(Br)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.52
IGF1R P08069 2/20 0.50
CTSC P53634 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GALR2 O43603 2/20 0.47
GALR1 P47211 2/20 0.47
EPHX2 P34913 1/20 0.46
KIF11 P52732 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL22404991 0.83 SYK (0.64) SYKIGF1RCTSCEPHX2MAPT
SCHEMBL20267695 0.83 KCNH2 (0.49) CTSCNPC1RAB9AABL1BCR
SCHEMBL3247623 0.81 SYK (0.49) SYKIGF1RCTSCGALR2GALR1
SCHEMBL3246352 0.80 CTSC (0.53) SYKIGF1RCTSCGALR2GALR1
SCHEMBL3234950 0.79 CTSC (0.52) SYKIGF1RCTSCGALR2GALR1
SCHEMBL18525587 0.78 KDM5A (0.49) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL21088768 0.77 SYK (0.46) SYKIGF1RCTSCGALR2GALR1
SCHEMBL3238245 0.76 MEN1 (0.59) ALDH1A1MEN1KMT2A
SCHEMBL3249395 0.76 NPC1 (0.70) NPC1RAB9AALDH1A1HPGDTSHR
SCHEMBL3247690 0.76 IGF1R (0.53) SYKIGF1RCTSCGALR2GALR1

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 1 patent. 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 disclosed