SCHEMBL11490669

SCHEMBL11490669

[S]c1nnc2ccccn12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
ALDH1A1 P00352 6/20 0.57
HSD17B10 Q99714 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 5/20 0.48
HPGD P15428 3/20 0.48
GLA P06280 2/20 0.48
GAA P10253 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 8/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL558515 0.74 KDM4E (0.55) KDM4EALDH1A1HSD17B10KMT2ANPC1
SCHEMBL16402570 0.74 KDM4E (0.56) KDM4EALDH1A1HSD17B10KMT2ANPC1
SCHEMBL7698945 0.74 KDM4E (0.56) KDM4EALDH1A1HSD17B10KMT2ANPC1
SCHEMBL253753 0.74 KDM4E (0.55) KDM4EALDH1A1HSD17B10KMT2ANPC1
SCHEMBL10809600 0.74 KDM4E (0.55) KDM4EALDH1A1HSD17B10KMT2ANPC1
SCHEMBL1450345 0.74 KDM4E (0.55) KDM4EALDH1A1HSD17B10KMT2ANPC1
SCHEMBL1450341 0.74 KDM4E (0.55) KDM4EALDH1A1HSD17B10KMT2ANPC1
SCHEMBL20363016 0.74 KDM4E (0.55) KDM4EALDH1A1HSD17B10KMT2ANPC1
Bromide SCHEMBL1186616 0.73 KDM4E (0.53) KDM4EALDH1A1HSD17B10KMT2ANPC1
SCHEMBL6219388 0.71 KDM4E (0.73) KDM4EALDH1A1HSD17B10KMT2ANPC1

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-4234578-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1980-11-18 US disclosed