SCHEMBL5013950

SCHEMBL5013950

COC(=O)c1n[nH]c2cc(CBr)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
STAT3 P40763 1/20 0.58
HIF1A Q16665 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 4/20 0.46
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK10 P53779 1/20 0.45
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CDC7 O00311 1/20 0.43
MAP2K4 P45985 2/20 0.42
FLT3 P36888 1/20 0.41
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41

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
SCHEMBL27956765 0.87 KDM4E (0.60) KDM4ESTAT3HIF1ASMN1; SMN2LMNA
SCHEMBL27956770 0.86 KDM4E (0.58) KDM4ESTAT3HIF1ASMN1; SMN2LMNA
SCHEMBL4603741 0.82 PRKAG1 (0.51)
SCHEMBL30258217 0.81 KDM4E (0.63) KDM4ESTAT3HIF1ASMN1; SMN2MAP2K4
SCHEMBL498163 0.81 KDM4E (0.63) KDM4ESTAT3HIF1ASMN1; SMN2MAP2K4
SCHEMBL12788089 0.80 KDM4E (0.65) KDM4ESTAT3HIF1ASMN1; SMN2RAB9A
SCHEMBL16516393 0.78 KDM4E (0.63) KDM4ESTAT3HIF1ASMN1; SMN2LMNA
SCHEMBL14574212 0.78 KDM4E (0.63) KDM4ESTAT3HIF1ASMN1; SMN2RAB9A
SCHEMBL15882110 0.78 MAP2K4 (0.65) KDM4ESTAT3HIF1ASMN1; SMN2LMNA
SCHEMBL31725376 0.78 MAP2K4 (0.65) KDM4ESTAT3HIF1ASMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984360-A2 COMPOUNDS AND METHODS FOR MODULATING FX-RECEPTORS Eli Lilly & Company (US) 2008-10-29 EP disclosed
WO-2007092751-A2 COMPOUNDS AND METHODS FOR MODULATING FX-RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-16 WO disclosed