SCHEMBL5802789

SCHEMBL5802789

C#COc1cccc2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
MAPT P10636 3/20 0.50
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MMP2 P08253 2/20 0.48
ALOX15 P16050 2/20 0.48
TSHR P16473 2/20 0.48
GMNN O75496 1/20 0.48
TP53 P04637 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MMP9 P14780 1/20 0.48
NFKB1 P19838 1/20 0.48
MMP8 P22894 1/20 0.48
CCR1 P32246 1/20 0.48

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
SCHEMBL28099224 0.81 KDM4E (0.53) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL28233 0.81 KDM4E (0.53) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL10410895 0.79 KDM4E (0.50) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL2487083 0.79 RAB9A (0.56) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL6516869 0.79 KDM4E (0.58) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL4386263 0.78 KDM4E (0.72) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL1187034 0.77 KDM4E (0.49) KDM4ERAB9ANPC1MAPTLMNA
Hydrochloric Acid SCHEMBL7707460 0.77 RAB9A (0.55) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL6222097 0.77 LMNA (0.49) KDM4ERAB9ANPC1MAPTLMNA
Hydrochloric Acid SCHEMBL27496748 0.76 KDM4E (0.59) KDM4ERAB9ANPC1MAPTLMNA

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-1506185-B1 COMPOUNDS AND THEIR USE AS INHIBITORS OF 5-HT BIOVITRUM AB (SE) 2006-05-24 EP claimed