SCHEMBL3247925

SCHEMBL3247925

O=Cc1ccccc1-c1ccc(Nc2ccc(Cl)c(Cl)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.42
PTGER1 P34995 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
KMO O15229 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
EIF4E P06730 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 4/20 0.40
PTGES O14684 1/20 0.39
MEN1 O00255 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GUSB P08236 1/20 0.39
GRM4 Q14833 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL13356451 0.81 HDAC6 (0.49) KDRRAB9AKMT2AMEN1HDAC6
SCHEMBL3262625 0.80 RHOA (0.51) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL3242650 0.78 CDK8 (0.43) KDRKMOCHRNB4CHRNA3NPC1
SCHEMBL3242738 0.78 KDM4E (0.54) KDRKMT2AMEN1MAPTTEK
SCHEMBL3240510 0.78 KDR (0.45) KDRKMT2AMEN1MAPTTEK
SCHEMBL3246021 0.78 TDP2 (0.44) KDRNPC1RAB9A
SCHEMBL3247960 0.76 KMT2A (0.51) KDRNPC1RAB9AKMT2AMEN1
SCHEMBL3242077 0.75 CTSC (0.47) CNR2TEK
SCHEMBL6260642 0.75 PTGER1 (0.62) PTGER1PTGER3PTGER2EIF4ERAB9A
SCHEMBL3262264 0.74 TRIM24 (0.41) KDRKMT2AMEN1MAPT

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