SCHEMBL8924030

SCHEMBL8924030

N[C@H](c1ccccc1)[C@H](NC(=O)c1ccccn1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
KDM4E B2RXH2 2/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
OPRK1 P41145 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
EPHX2 P34913 1/20 0.52
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NAPRT Q6XQN6 1/20 0.46
P4HTM Q9NXG6 1/20 0.46

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
SCHEMBL28928009 0.80 HTT (0.60) LMNAKDM4EHTTSMN1; SMN2OPRK1
SCHEMBL9848406 0.77 AKT1 (0.61) LMNAKDM4EHTTSMN1; SMN2OPRK1
SCHEMBL10013666 0.76 DPP4 (0.50) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL31644092 0.75 S1PR3 (0.66) LMNAKDM4EHTTSMN1; SMN2OPRK1
SCHEMBL4942910 0.73 CTSA (0.60) LMNAKDM4EHTTSMN1; SMN2OPRK1
SCHEMBL7377820 0.73 SMN1; SMN2 (0.56) LMNAKDM4EHTTSMN1; SMN2OPRK1
SCHEMBL15145589 0.73 KDM4E (0.54) LMNAKDM4EHTTSMN1; SMN2OPRK1
SCHEMBL1106971 0.73 KDM4E (0.63) LMNAKDM4EHTTSMN1; SMN2OPRK1
SCHEMBL19797800 0.73 DPP4 (0.46) LMNAKDM4EHDAC1HDAC6ALDH1A1
SCHEMBL7058262 0.72 KDM4E (0.52) LMNAKDM4EHTTSMN1; SMN2OPRK1

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
US-5602267-A Organometallic catalysts for epoxidizing prochiral olefins and a new class of amid-salicylidene ligands HOECHST CELANESE (US) 1997-02-11 US disclosed