SCHEMBL6500947

SCHEMBL6500947

[CH2]CNC(=O)c1cc(OC)cc(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
GAA P10253 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 2/20 0.55
MAPT P10636 1/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
TSHR P16473 1/20 0.54
HPGD P15428 2/20 0.51
POLB P06746 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GPR139 Q6DWJ6 1/20 0.49

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
SCHEMBL8437113 0.85 KDM4E (0.71) KDM4EGAASMN1; SMN2NPC1MAPT
SCHEMBL7799270 0.83 KDM4E (0.69) KDM4EGAASMN1; SMN2NPC1MAPT
SCHEMBL11246936 0.83 MMP13 (0.64) KDM4EGAASMN1; SMN2NPC1MAPT
SCHEMBL6546014 0.81 PKM (0.68) GAASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL11354985 0.81 KDM4E (0.67) KDM4EGAASMN1; SMN2NPC1MAPT
SCHEMBL6359507 0.80 KDM4E (0.65) KDM4EGAASMN1; SMN2NPC1MAPT
SCHEMBL7952955 0.79 KMT2A (0.69) SMN1; SMN2NPC1KMT2AMEN1POLB
SCHEMBL6506738 0.79 KDM4E (0.58) KDM4EGAASMN1; SMN2KMT2AMEN1
SCHEMBL5036685 0.79 CA1 (0.66) KDM4EGAASMN1; SMN2NPC1MAPT
SCHEMBL9637773 0.78 KDM4E (0.63) KDM4EGAASMN1; SMN2NPC1MAPT

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-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed