SCHEMBL14280251

SCHEMBL14280251

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.41
▸ GSK3B P49841 2/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ NOS3 P29474 2/20 0.34

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
SCHEMBL14280270 0.82 TYR (0.46) TYRMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL14280244 0.80 CYP19A1 (0.36) GSK3BCYP19A1KMT2ASMN1; SMN2CYP1B1
SCHEMBL14306630 0.78 TYR (0.41) TYRMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL14280245 0.78 MEN1 (0.45) TYRCYP19A1MEN1KMT2ASMN1; SMN2
SCHEMBL14280256 0.77 VCAM1 (0.41) TYRMEN1KMT2AKDM4EMAPT
SCHEMBL18877782 0.76 BRD4 (0.34) CYP19A1KMT2ASMN1; SMN2CYP1B1BRD4
SCHEMBL2592758 0.75 TYR (0.63) TYRMEN1KMT2ASMN1; SMN2KDM4E
Benzoquinone SCHEMBL16556227 0.69 TYR (0.55) TYRMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL18877728 0.67 PTGS2 (0.43) GSK3BCYP19A1MEN1KMT2ASMN1; SMN2
SCHEMBL10476855 0.67 MAOA (0.51) GSK3BMEN1KMT2AKDM4EMAPT

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
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
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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