SCHEMBL13620481

SCHEMBL13620481

COc1ccc(-n2nnc3ccccc32)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KCNMA1 Q12791 1/20 0.48
POLB P06746 1/20 0.47
NR1I2 O75469 2/20 0.46
F12 P00748 3/20 0.46
MGAM O43451 2/20 0.46
AMY1A P0DUB6 2/20 0.46
GAA P10253 2/20 0.46
SI P14410 2/20 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
SCHEMBL2095767 0.83 KDM4E (0.59) SMN1; SMN2LMNAKDM4ETSHRRECQL
SCHEMBL2091203 0.78 FGFR1 (0.56) SMN1; SMN2LMNAKDM4ETSHRRECQL
SCHEMBL2096963 0.77 MGAM (0.55) SMN1; SMN2LMNAKDM4ENPSR1MAPT
SCHEMBL2092784 0.77 SMN1; SMN2 (0.59) SMN1; SMN2LMNAKDM4ETSHRRECQL
SCHEMBL21022145 0.76 SMN1; SMN2 (0.50) SMN1; SMN2LMNAKDM4ETSHRRECQL
SCHEMBL28678482 0.74 HDAC3 (0.55) SMN1; SMN2LMNAKDM4ETSHRRECQL
SCHEMBL2089555 0.74 KCNMA1 (0.50) SMN1; SMN2LMNAKDM4ETSHRRECQL
SCHEMBL10103354 0.72 SMN1; SMN2 (0.48) SMN1; SMN2LMNAKDM4ETSHRRECQL
SCHEMBL19848332 0.72 ALDH1A1 (0.56) SMN1; SMN2LMNAKDM4ETSHRNPSR1
SCHEMBL19848194 0.72 NPC1 (0.60) SMN1; SMN2LMNAKDM4ETSHRNPSR1

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
EP-2123264-A1 Heterocyclic derivatives as abnormal cannabidiols agents for lowering intraocular pressure Allergan, Inc. (US) 2009-11-25 EP disclosed