SCHEMBL1778293

SCHEMBL1778293

C/C(C(=O)O)=C1/CCN(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP2D6 P10635 1/20 0.47
ADORA1 P30542 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ACHE P22303 1/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL1778295 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2ACYP2D6
SCHEMBL6735770 0.91 KMT2A (0.53) ALDH1A1KDM4EMEN1KMT2ACYP2D6
SCHEMBL29512666 0.84 SIGMAR1 (0.52) KDM4EMEN1KMT2AADORA1SIGMAR1
SCHEMBL3129485 0.83 SIGMAR1 (0.47) ALDH1A1KDM4EMEN1KMT2ACYP2D6
SCHEMBL3129489 0.83 SIGMAR1 (0.47) ALDH1A1KDM4EMEN1KMT2ACYP2D6
SCHEMBL13355700 0.80 SIGMAR1 (0.47) MEN1KMT2ACYP2D6SIGMAR1ACHE
SCHEMBL6745218 0.77 SIGMAR1 (0.61) ALDH1A1MEN1KMT2ACYP2D6SIGMAR1
SCHEMBL15962261 0.77 SIGMAR1 (0.61) KDM4EMEN1KMT2ACYP2D6SIGMAR1
SCHEMBL3824788 0.77 MEN1 (0.55) ALDH1A1MEN1KMT2ACYP2D6SIGMAR1
SCHEMBL2448897 0.76 MEN1 (0.54) ALDH1A1KDM4EMEN1KMT2ACYP2D6

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-7943605-B2 Compounds comprising a lactam or a lactam derivative moiety, processes for making them, and their uses UCB PHARMA S.A. (BE) 2011-05-17 US disclosed