SCHEMBL3368428

SCHEMBL3368428

COc1cc(-c2cc(CNc3ccc(N4CCOCC4)cc3)cn2S(=O)(=O)c2cc(O)ccc2C)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.49
GAA P10253 6/20 0.49
ALDH1A1 P00352 6/20 0.49
MAPK1 P28482 5/20 0.49
TDP1 Q9NUW8 3/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.42
TGFBR1 P36897 1/20 0.41
ACVR1 Q04771 1/20 0.41
ALOX12 P18054 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.39
THRB P10828 1/20 0.39
MPI P34949 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL1377862 0.85 MAPT (0.53) MAPTGAAALDH1A1MAPK1TDP1
SCHEMBL3368082 0.85 TUBB4A (0.38) MAPTGAAALDH1A1MAPK1TDP1
SCHEMBL3372538 0.83 RAB9A (0.55) MAPTGAAALDH1A1MAPK1TDP1
SCHEMBL3367765 0.81 TUBB4A (0.38) MAPTGAAALDH1A1MAPK1TDP1
SCHEMBL1379774 0.76 RAB9A (0.63) MAPTGAAALDH1A1MAPK1TDP1
SCHEMBL3370766 0.71 CD274 (0.42) GAAALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL3372486 0.69 KDM4E (0.35) ALDH1A1KDM4ETGFBR1ACVR1NPC1
SCHEMBL3371912 0.68 FYN (0.34) TGFBR1ACVR1NPC1LMNARECQL
SCHEMBL5696184 0.68 KMT2A (0.52) MAPTGAAALDH1A1MAPK1MEN1
SCHEMBL3370431 0.68 MAP3K11 (0.45) TGFBR1NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628957-B1 SULFOPYRROLES TAKEDA PHARMACEUTICAL (JP) 2010-09-29 EP claimed