SCHEMBL14280270

SCHEMBL14280270

COC1=CC(=CN=Nc2ccc(C)cc2)C=C(OC)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.46
▸ MAPT P10636 6/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ HKDC1 Q2TB90 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CDC25A P30304 2/20 0.39
▸ CDC25B P30305 2/20 0.39
▸ CDC25C P30307 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.35

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
SCHEMBL14280251 0.82 TYR (0.41) TYRMAPTSMN1; SMN2MAPK1HKDC1
SCHEMBL14280245 0.82 MEN1 (0.45) TYRMAPTSMN1; SMN2MAPK1MEN1
SCHEMBL14306630 0.82 TYR (0.41) TYRMAPTSMN1; SMN2MAPK1HKDC1
SCHEMBL2592758 0.79 TYR (0.63) TYRMAPTSMN1; SMN2MAPK1HKDC1
SCHEMBL14280269 0.77 NPC1 (0.37) MAPTSMN1; SMN2MAPK1KMT2ANPC1
SCHEMBL14253708 0.76 TYR (0.41) TYRMAPTSMN1; SMN2MAPK1HKDC1
SCHEMBL18877771 0.74 NPC1 (0.32) MAPTSMN1; SMN2MAPK1KMT2ANPC1
SCHEMBL21779132 0.71 TYR (0.48) TYRMAPTSMN1; SMN2MAPK1HKDC1
SCHEMBL18877728 0.71 PTGS2 (0.43) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL18877798 0.70 PTGS2 (0.40) MAPTSMN1; SMN2MAPK1MEN1KMT2A

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
US-7314692-B2 Phenylazomethylene-cyclohexadienone derivatives comprising electron withdrawing group and electrophotographic photoreceptor comprising the derivatives SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-01-01 — — US disclosed
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