SCHEMBL11856462

SCHEMBL11856462

O/N=C1/CCCc2ccc(-c3ccccc3)nc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 3/20 0.39
MAPT P10636 1/20 0.39
NPY5R Q15761 3/20 0.38
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 1/20 0.36
FGF23 Q9GZV9 1/20 0.33
BCL2L1 Q07817 1/20 0.33

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
SCHEMBL11856469 1.00 HTT (0.43) HTTSMN1; SMN2HPGDL3MBTL1KDM4E
SCHEMBL883086 0.76 KMT2A (0.53) HTTSMN1; SMN2HPGDL3MBTL1KDM4E
SCHEMBL16724108 0.75 HPGDS (0.42) KDM4ENPY5RALDH1A1MAPK1HSD17B10
SCHEMBL526377 0.74 KDM4E (0.41) HTTSMN1; SMN2HPGDL3MBTL1KDM4E
SCHEMBL526376 0.74 KDM4E (0.41) HTTSMN1; SMN2HPGDL3MBTL1KDM4E
SCHEMBL10271343 0.73 KMT2A (0.49) HTTSMN1; SMN2HPGDL3MBTL1KDM4E
SCHEMBL16724128 0.71 KCNH2 (0.42) HTTKDM4EMAPTNPY5RALDH1A1
SCHEMBL9880191 0.71 HPGD (0.41) HTTSMN1; SMN2HPGDL3MBTL1KDM4E
SCHEMBL11851822 0.71 HPGD (0.37) HTTSMN1; SMN2HPGDL3MBTL1KDM4E
SCHEMBL7230393 0.71 KDM4E (0.44) HTTSMN1; SMN2HPGDL3MBTL1KDM4E

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-3991065-A ANTIULCER AGENTS, CHEMICAL INTERMEDIATES JOHN WYETH & BROTHER LIMITED (EN) 1976-11-09 US disclosed