SCHEMBL15566614

SCHEMBL15566614

C=Cc1c(N)c(-c2ccccc2)c2ccccc2c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ ACHE P22303 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ CHRM2 P08172 1/20 0.33

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
SCHEMBL17915422 0.77 KDM4E (0.50) KDM4ETDP1MAPK1L3MBTL1MAPT
SCHEMBL17682959 0.75 TDP1 (0.33) KDM4ETDP1MAPK1L3MBTL1MAPT
SCHEMBL3499851 0.72 KDM4E (0.50) KDM4ETDP1MAPK1L3MBTL1MAPT
SCHEMBL18473301 0.72 ALDH1A1 (0.38) KDM4ETDP1MAPK1MAPTALDH1A1
SCHEMBL4071671 0.72 ALDH1A1 (0.43) KDM4EMAPK1L3MBTL1MAPTALDH1A1
SCHEMBL21450773 0.70 MGLL (0.40) L3MBTL1HPGDSMN1; SMN2CA1CA2
SCHEMBL28402732 0.70 KDM4E (0.48) KDM4ETDP1MAPK1L3MBTL1MAPT
SCHEMBL11793107 0.70 KDM4E (0.48) KDM4ETDP1MAPK1L3MBTL1MAPT
SCHEMBL6563914 0.69 ALDH1A1 (0.54) KDM4ETDP1MAPK1L3MBTL1MAPT
SCHEMBL19305695 0.69 KDM4E (0.47) KDM4ETDP1MAPK1L3MBTL1MAPT

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-2014025424-A2 BORON-NITROGEN-CONTAINING ACENE COMPOUNDS AND THEIR PREPARATION STATE OF OREGON ACTING BY & THROUGH THE STATE BOARD OF HIGHER EDUC. ON BEHALF OF THE UNIV. OF OREGON (US) 2014-02-13 — — WO disclosed
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