SCHEMBL6538840

SCHEMBL6538840

COc1ccc(-c2ccc(N)c(N)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
HEXA P06865 1/20 0.44
HEXB P07686 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
ABL1 P00519 1/20 0.42
ABCB1 P08183 1/20 0.42
BCR P11274 1/20 0.42
DYRK1A Q13627 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PTPN1 P18031 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL415915 0.82 TDP1 (0.55) MAPTHEXAHEXBTDP1MAPK1
SCHEMBL28251872 0.82 MAPT (0.47) MAPTHEXAHEXBTDP1MAPK1
SCHEMBL19357316 0.82 CA12 (0.55) MAPTKMT2AABL1ABCB1BCR
SCHEMBL2790053 0.81 MAPT (0.45) MAPTTDP1MAPK1KMT2AALDH1A1
SCHEMBL24560 0.81 TDP1 (0.46) MAPTHEXAHEXBTDP1MAPK1
SCHEMBL28724319 0.80 TDP1 (0.54) MAPTHEXAHEXBTDP1MAPK1
SCHEMBL1712808 0.79 PTGS2 (0.41) MAPTHEXAHEXBTDP1MAPK1
SCHEMBL3794694 0.78 NPC1 (0.51) MAPTHEXAHEXBTDP1MAPK1
SCHEMBL8097613 0.78 TDP1 (0.56) MAPTHEXAHEXBTDP1MAPK1
SCHEMBL1272800 0.76 KDM4E (0.42) MAPTTDP1MAPK1KMT2AALDH1A1

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
EP-1407500-A1 ELECTROACTIVE POLYMERS AND DEVICES MADE THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2004-04-14 EP claimed
WO-2003007395-A1 ELECTROACTIVE POLYMERS AND DEVICES MADE THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2003-01-23 WO claimed