SCHEMBL3230965

SCHEMBL3230965

O=C(Nc1ccc(F)cc1)c1cc(Nc2cccc(O)c2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.56
EGFR P00533 2/20 0.54
ERBB3 P21860 1/20 0.54
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
LCK P06239 2/20 0.48
KMO O15229 1/20 0.46
ESRRG P62508 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
JAK3 P52333 1/20 0.44
FGFR1 P11362 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL3232643 0.91 S1PR1 (0.50) S1PR1EGFRERBB3MAPTTP53
SCHEMBL3226072 0.90 EGFR (0.56) S1PR1EGFRERBB3MAPTLCK
SCHEMBL3231547 0.88 EGFR (0.60) S1PR1EGFRERBB3MAPTLCK
SCHEMBL3221284 0.88 S1PR1 (0.63) S1PR1EGFRERBB3LCKKMO
SCHEMBL3228067 0.88 EGFR (0.58) S1PR1EGFRERBB3LCKKMO
SCHEMBL3222813 0.87 EGFR (0.64) S1PR1EGFRERBB3LCKKMO
SCHEMBL3232976 0.84 SMN1; SMN2 (0.53) S1PR1EGFRERBB3MAPTTP53
SCHEMBL3226692 0.83 TNNI3K (0.56) S1PR1EGFRERBB3LCKMEN1
SCHEMBL3225937 0.83 EGFR (0.53) S1PR1EGFRERBB3LCKKMO
SCHEMBL3226606 0.83 EGFR (0.53) S1PR1EGFRERBB3LCKKMO

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO claimed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO claimed
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO disclosed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO disclosed