SCHEMBL11409353

SCHEMBL11409353

CCOC(=O)N=C1C=CC=CC1C=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 3/20 0.41
DHFR P00374 1/20 0.41
TMIGD3 P0DMS9 1/20 0.41
ALOX12 P18054 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.37

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
SCHEMBL1966472 0.82 GLA (0.40) ADORA3MEN1KMT2AKDM4EL3MBTL1
SCHEMBL9555439 0.79 MAPT (0.35) ADORA3MEN1KMT2AKDM4EL3MBTL1
SCHEMBL4742842 0.79 MAPT (0.35) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL7088421 0.74 KDM1A (0.36) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL30052413 0.73 TRPA1 (0.35) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL31172515 0.69 NPC1 (0.36) ADORA3MEN1KMT2AL3MBTL1MAPT
SCHEMBL8058925 0.69 KDM1A (0.32) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL27919393 0.68 MAPT (0.37) ADORA3MEN1KMT2AKDM4EL3MBTL1
SCHEMBL5565774 0.68 KDM1A (0.33) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL30874319 0.68 KDM1A (0.38) MEN1KMT2AKDM4EMAPTALDH1A1

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-4181655-A ANTIDEPRESSANTS RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY INC. (US) 1980-01-01 US disclosed