SCHEMBL14539261

SCHEMBL14539261

C=C(c1ccc2ccccc2c1)N1CCCC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL14539268 0.94 KDM4E (0.46) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL2172884 0.81 ALDH1A1 (0.44) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL31472659 0.77 HPGD (0.47) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL31472654 0.77 SMN1; SMN2 (0.49) KMT2ARAB9AMAPTCYP1A2CYP2D6
SCHEMBL14539264 0.75 MAPT (0.44) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL31472651 0.75 MAPT (0.71) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL4963462 0.74 GAA (0.48) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL27551581 0.74 MAPT (0.50) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL27926889 0.72 KMT2A (0.41) MEN1KMT2AKDM4EMAPTCYP1A2
Naphthylamine SCHEMBL27936711 0.71 ALDH1A1 (0.47) MEN1KMT2ARAB9AKDM4EMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101177410-A Method for synthesizing 2-substituted enamine or enamides UNIV ZHEJIANG TECHNOLOGY (CN) 2008-05-14 CN disclosed
WO-2007057658-A1 PALLADIUM CATALYSED HECK ARYLATION OR VINYLATION OF 1-SUBSTITUTED OLEFINS THE UNIVERSITY OF LIVERPOOL (GB) 2007-05-24 WO disclosed
CN-1271050-C Process for preparing 2-substituted enamine or enoyl amine UNIV ZHEJIANG TECHNOLOGY (CN) 2006-08-23 CN disclosed
CN-1634883-A Process for preparing 2-substituted enamine or enoyl amine UNIV ZHEJIANG TECHNOLOGY (CN) 2005-07-06 CN disclosed