SCHEMBL3244498

SCHEMBL3244498

COc1ccc(-c2ccc(OCCCc3ccccn3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SYK P43405 10/20 0.48
AURKB Q96GD4 1/20 0.48
INCENP Q9NQS7 1/20 0.48
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ACP1 P24666 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
MCHR1 Q99705 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OXTR P30559 1/20 0.41

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
SCHEMBL3247916 0.87 LTA4H (0.44) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL3241858 0.79 ELOVL1 (0.49) SYKCYP3A4CYP2D6CYP2C9ATM
SCHEMBL3249134 0.77 HRH1 (0.42) CYP3A4CYP2D6CYP2C9OXTR
SCHEMBL6792817 0.75 HRH1 (0.50) SYKCYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL3241892 0.75 SMN1; SMN2 (0.40) CYP3A4CYP2D6CYP2C9ALDH1A1ATM
SCHEMBL18163283 0.75 TDP1 (0.58) RAB9ANPC1SYKAURKBINCENP
SCHEMBL22645588 0.75 TDP1 (0.58) RAB9ANPC1SYKAURKBINCENP
SCHEMBL3237662 0.73 SYK (0.54) RAB9ANPC1SYKAURKBINCENP
SCHEMBL6859512 0.72 HRH1 (0.55) RAB9ANPC1CYP3A4CYP2D6CYP2C9
SCHEMBL1422493 0.72 MKNK1 (0.59) CLK4OXTR

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 3 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
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed