SCHEMBL8068428

SCHEMBL8068428

Nc1nc2c(s1)CCc1c-2sc2ncnn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MPI P34949 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7477728 0.72 KDM4E (0.40) KDM4EALDH1A1MAPTMPINPC1
Bromide SCHEMBL7483434 0.68 SMN1; SMN2 (0.44) KDM4EALDH1A1MAPTMPINPC1
SCHEMBL7476386 0.67 RAB9A (0.54) KDM4EALDH1A1MAPTMPINPC1
SCHEMBL2563054 0.62 KDM4E (0.69) KDM4EALDH1A1MAPTMPINPC1
SCHEMBL2564044 0.59 KDM4E (0.70) KDM4EALDH1A1MAPTMPINPC1
SCHEMBL23042072 0.58 ADORA1 (0.58) KDM4EALDH1A1MAPTMPINPC1
SCHEMBL2762670 0.58 ADORA1 (0.58) KDM4EALDH1A1MAPTMPINPC1
SCHEMBL10665354 0.57 ADORA1 (0.60) KDM4EALDH1A1MAPTMPINPC1
SCHEMBL30953833 0.56 ADORA1 (0.97) KDM4EALDH1A1MAPTMPINPC1
SCHEMBL1745165 0.56 ADORA1 (0.97) KDM4EALDH1A1MAPTMPINPC1

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-6043373-A ANTIULCER AGENT YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 2000-03-28 US disclosed