SCHEMBL3241892

SCHEMBL3241892

O=Cc1cccc(-c2ccc(OCCCc3ccccn3)nc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CDK8 P49336 1/20 0.39
ELOVL1 Q9BW60 1/20 0.38
CD274 Q9NZQ7 1/20 0.37
AXL P30530 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
HRH1 P35367 1/20 0.35
ACVR1B P36896 1/20 0.35
TGFBR1 P36897 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
GRM5 P41594 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3243566 0.87 KDM4E (0.51) SMN1; SMN2KDM4EALDH1A1CDK8CD274
SCHEMBL3241858 0.83 ELOVL1 (0.49) KDM4EELOVL1CD274HRH1CYP3A4
SCHEMBL3244438 0.77 CYP1A2 (0.52) ALDH1A1CDK8AXLCYP1A2CYP2C19
SCHEMBL3247916 0.75 LTA4H (0.44) SMN1; SMN2ELOVL1HRH1CYP3A4CYP2D6
SCHEMBL3244498 0.75 RAB9A (0.49) ALDH1A1CYP3A4CYP2D6CYP2C9ATM
SCHEMBL16180061 0.73 HSD17B1 (0.60) CDK8TRIM24TRIM33CA12CA1
SCHEMBL3249134 0.72 HRH1 (0.42) SMN1; SMN2ELOVL1CD274HRH1CA12
SCHEMBL3242889 0.72 KDM4E (0.47) KDM4ECD274ATM
SCHEMBL5665266 0.71 TLR4 (0.53) SMN1; SMN2KDM4EALDH1A1CA12CA1
SCHEMBL6792817 0.71 HRH1 (0.50) SMN1; SMN2ALDH1A1HRH1CA12CA1

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