SCHEMBL6678366

SCHEMBL6678366

CCOc1cccc(-c2nnc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)s2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HPGD P15428 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 3/20 0.53
NOTUM Q6P988 1/20 0.50
PKM P14618 2/20 0.49
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
LMNA P02545 4/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
GBA1 P04062 1/20 0.44
RCE1 Q9Y256 1/20 0.44
MAPK1 P28482 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL6153577 0.81 NOTUM (0.65) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL6154672 0.77 GUSB (0.61) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL6154281 0.76 NOTUM (0.57) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL6154211 0.75 NOTUM (0.54) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL6677750 0.74 KDM4E (0.61) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL6153921 0.74 NOTUM (0.53) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL6154585 0.74 NOTUM (0.53) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL8752425 0.74 MEN1 (0.97) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL6156315 0.73 ALDH1A1 (0.54) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL6154361 0.73 KDM4E (0.60) MAPTMEN1KMT2AHPGDALDH1A1

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
EP-0869811-B1 IMMUNOLOGICALLY ACTIVE MISTLETOE EXTRACT PREPARATIONS MADAUS AG (DE) 2004-08-11 EP claimed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed