SCHEMBL28248982

SCHEMBL28248982

Cc1cc(CCCc2cc(C)c(C#N)c(C)c2)cc(C)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 3/20 0.39
ALOX15 P16050 2/20 0.39
APOBEC3G Q9HC16 2/20 0.39
HAVCR2 Q8TDQ0 1/20 0.39
USP2 O75604 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
RECQL P46063 2/20 0.37
UPP1 Q16831 1/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL27878369 0.84 KDM4E (0.44) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL3004075 0.81 MEN1 (0.44) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL15599249 0.79 KDM4E (0.46) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL1344362 0.78 KDM4E (0.46) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL25786462 0.77 KDM4E (0.40) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL5524083 0.77 KDM4E (0.40) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL28650262 0.77 KDM4E (0.42) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL28248555 0.77 GABRA1 (0.40) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL28865511 0.74 KDM4E (0.40) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL25695809 0.74 KDM4E (0.42) KDM4ELMNAALDH1A1HSD17B10HPGD

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
CN-106083927-B Phosphino- amidine compound, metal complex, antigravity system and their oligomeric or olefin polymerization purposes 切弗朗菲利浦化学公司 2018-10-26 CN disclosed