SCHEMBL3242089

SCHEMBL3242089

COc1cc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
KDM4E B2RXH2 2/20 0.53
ALOX15 P16050 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 5/20 0.47
HSD17B10 Q99714 2/20 0.46
ACVR1 Q04771 2/20 0.46
HTT P42858 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3243299 0.87 SMN1; SMN2 (0.49) KDM4EMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5236345 0.83 ZAP70 (0.56) ACVR1TGFBR1
SCHEMBL5235053 0.79 ZAP70 (0.56) ACVR1TGFBR1
SCHEMBL3242066 0.78 DRD2 (0.48) TSHRKDM4EMEN1KMT2ALMNA
SCHEMBL3243110 0.76 MGLL (0.49) TSHRKDM4EMEN1KMT2ALMNA
SCHEMBL5003412 0.76 MAPT (0.52) TSHRKDM4EALOX15TDP1MEN1
SCHEMBL5623507 0.75 ZAP70 (0.54) ALDH1A1ACVR1TGFBR1
SCHEMBL2494773 0.75 DHFR (0.59) TSHRKDM4ETDP1LMNASMN1; SMN2
SCHEMBL5234898 0.74 ZAP70 (0.53) ACVR1TGFBR1DRD2DRD3
SCHEMBL5402417 0.74 MAPT (0.48) TSHRMEN1KMT2ASMN1; SMN2GAA

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