SCHEMBL3247913

SCHEMBL3247913

c1ccc(Oc2cccc(Nc3ccc(-c4ccco4)cn3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.52
ALK Q9UM73 1/20 0.43
MCL1 Q07820 2/20 0.42
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
TTK P33981 1/20 0.40
BTK Q06187 1/20 0.40
SYK P43405 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CETP P11597 1/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
GCK P35557 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
TNK2 Q07912 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL3249382 0.79 KDR (0.49) KDRMCL1BTKSYKMEN1
SCHEMBL3241814 0.76 KDR (0.46) KDRMCL1BTKSYKMEN1
SCHEMBL3240510 0.74 KDR (0.45) KDRMCL1BTKMEN1KMT2A
SCHEMBL5669847 0.74 KEAP1 (0.53) KDRCETPNPC1RAB9ASMN1; SMN2
SCHEMBL19662081 0.71 TAAR1 (0.53) BTKMEN1KMT2ATNK2NPC1
SCHEMBL5178859 0.70 PRMT6 (0.54) CETP
SCHEMBL12700595 0.69 ALDH1A1 (0.58) KDRSYKMEN1KMT2AMAPT
SCHEMBL13608046 0.69 CHEK2 (0.44) KDRMCL1CETPMAPT
SCHEMBL31061190 0.69 KDR (1.00) KDR
SCHEMBL13356410 0.68 KDR (0.46) KDRSYKMEN1KMT2AMAPT

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