SCHEMBL9803102

SCHEMBL9803102

[O-][S+](Cc1ccccc1N1CCOCC1)c1nc2c(n1-c1ccccn1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
METAP1 P53582 1/20 0.33
MAPT P10636 1/20 0.33
PDE2A O00408 1/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
KIT P10721 1/20 0.32
FLT3 P36888 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 1/20 0.31
AR P10275 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31

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
SCHEMBL9011975 0.77 ALDH1A1 (0.37) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9668156 0.77 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL9802333 0.66 KDM4E (0.35) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL9677086 0.64 TP53 (0.51) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29390734 0.63 ALDH1A1 (0.69) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL22326 0.63 ALDH1A1 (0.69) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9802714 0.62 ALDH1A1 (0.35) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4354346 0.61 ALDH1A1 (0.67) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9802344 0.61 NR1H3 (0.38) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL9802544 0.61 ALDH1A1 (0.34) ALDH1A1MAPTLMNAPKMSMN1; SMN2

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-5002945-A Antiulcer agents TANABE SEIYAKU CO. LTD. (JP) 1991-03-26 US claimed