SCHEMBL3369860

SCHEMBL3369860

COCCCNC(=O)c1cncc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)n(S(=O)(=O)c3cc(O)ccc3C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
RAD52 P43351 1/20 0.36
FYN P06241 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BRD4 O60885 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALPL P05186 1/20 0.34

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
SCHEMBL3370766 0.87 CD274 (0.42) NPC1HPGDLMNACYP2C9CYP2C19
SCHEMBL1378422 0.86 MAPT (0.40) L3MBTL1NPC1KMT2AMEN1HPGD
SCHEMBL3368784 0.85 SYK (0.36) NPC1PKMHSD17B10
SCHEMBL3371912 0.82 FYN (0.34) NPC1PKMLMNAHTTFYN
SCHEMBL3372486 0.82 KDM4E (0.35) NPC1PKMHPGDFYNHSD17B10
SCHEMBL3370431 0.76 MAP3K11 (0.45) NPC1PKMFYNBRD4
SCHEMBL1376787 0.73 CD274 (0.44) NPC1KMT2AHPGDCYP2C9CYP2C19
SCHEMBL1379796 0.71 MAPK1 (0.38) KMT2A
SCHEMBL1376476 0.70 MAP3K11 (0.42) PKMKMT2AMEN1LMNAFYN
SCHEMBL1378956 0.68 CYP11B1 (0.47) L3MBTL1PKMLMNACYP1A2CYP3A4

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