SCHEMBL14623967

SCHEMBL14623967

CCOc1ccc2c(O)cc(-c3ccccc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
RAB9A P51151 6/20 0.55
LMNA P02545 6/20 0.55
ALDH1A1 P00352 5/20 0.55
NPC1 O15118 5/20 0.55
HPGD P15428 4/20 0.55
MAPT P10636 2/20 0.48
TACR3 P29371 4/20 0.47
GAA P10253 1/20 0.47
MAPK10 P53779 1/20 0.47
TP53 P04637 5/20 0.47
HSD17B10 Q99714 3/20 0.47
USP2 O75604 2/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL743975 0.85 KDM4E (0.72) KDM4ESMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL14623979 0.80 SMN1; SMN2 (0.50) KDM4ESMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL8381387 0.77 KDM4E (0.78) KDM4ESMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL10155099 0.77 KDM4E (0.56) KDM4ESMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL12201040 0.76 ESR1 (0.53) KDM4ESMN1; SMN2LMNAALDH1A1TP53
SCHEMBL9634226 0.76 LMNA (0.56) KDM4ESMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL1256551 0.76 ACHE (0.61) KDM4ESMN1; SMN2LMNAHPGDTACR3
SCHEMBL12732312 0.76 KDM4E (0.58) KDM4ESMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL8614007 0.75 LMNA (0.57) KDM4ESMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL14035489 0.75 DHODH (0.56) TACR3ADORA1

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-2007001406-A2 ARYL-CONTAINING MACROCYCLIC COMPOUNDS CHIRON CORPORATION (US) 2007-01-04 WO disclosed