SCHEMBL7536896

SCHEMBL7536896

COc1ccc(CN2CCc3c(sc(NC4CCCCO4)c3C(=O)O)C2CNC(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
FLT3 P36888 1/20 0.39
GSK3B P49841 1/20 0.39
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
SRD5A2 P31213 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.38
PTPN1 P18031 2/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
ACHE P22303 3/20 0.35
PDGFRB P09619 1/20 0.35

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
SCHEMBL7553313 0.94 KDM4E (0.43) KDM4EHDAC1HDAC2NPC1MAPT
SCHEMBL7558300 0.92 KMT2A (0.42) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL5838164 0.88 PTPN1 (0.49) KDM4EHDAC1HDAC2FLT3GSK3B
SCHEMBL7702706 0.86 KDM4E (0.41) KDM4EHDAC1HDAC2FLT3GSK3B
SCHEMBL7539805 0.82 NPC1 (0.42) NPC1RAB9AALDH1A1HPGDCYP1A2
SCHEMBL7536570 0.82 ALDH1A1 (0.36) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL7539969 0.82 DRD4 (0.44) KDM4ENPC1MAPTALDH1A1HPGD
SCHEMBL7556319 0.81 HTR4 (0.40) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL5838460 0.81 KDM4E (0.42) KDM4EHDAC1HDAC2FLT3GSK3B
SCHEMBL5837940 0.81 PTPN1 (0.54) KDM4EHDAC1HDAC2NPC1MAPT

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-1214060-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2002-06-19 EP claimed
WO-2001017516-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2001-03-15 WO claimed