SCHEMBL7702706

SCHEMBL7702706

COc1ccc(CN2Cc3sc(NC4CCCCO4)c(C(=O)O)c3CC2CNC(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
FLT3 P36888 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 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
GSK3B P49841 1/20 0.38
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
LMNA P02545 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 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
SCHEMBL7699895 0.92 KMT2A (0.42) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL7519093 0.88 PTPN1 (0.46) KDM4EHDAC1HDAC2FLT3NPC1
SCHEMBL7702006 0.87 KDM4E (0.46) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL7536896 0.86 KDM4E (0.41) KDM4EHDAC1HDAC2FLT3NPC1
SCHEMBL7861252 0.84 HDAC1 (0.44) KDM4EHDAC1HDAC2FLT3NPC1
SCHEMBL7555860 0.80 AKR1C2 (0.37) KDM4EHDAC1HDAC2NPC1CYP2C9
SCHEMBL7553313 0.80 KDM4E (0.43) KDM4EHDAC1HDAC2NPC1RAB9A
SCHEMBL7694099 0.79 KDM4E (0.49) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL7694101 0.79 KDM4E (0.49) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL7526850 0.79 PTPN1 (0.46) KDM4ENPC1RAB9AMAPTKMT2A

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
WO-2002004458-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-17 WO disclosed