SCHEMBL9409353

SCHEMBL9409353

CCn1c(N)c(N)c(N)nc1=S

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.33
ALOX15 P16050 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 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
SCHEMBL9021673 0.82 ALOX15 (0.33) HSD17B10ALOX15ALDH1A1HPGDPOLB
SCHEMBL9021900 0.80 SMN1; SMN2 (0.32) HSD17B10ALOX15ALDH1A1HPGDPOLB
SCHEMBL9409140 0.71 CASP6 (0.31)
SCHEMBL9409213 0.69
SCHEMBL9322770 0.68 CYP1A2 (0.40) HSD17B10ALOX15ALDH1A1HPGDPOLB
SCHEMBL12282579 0.67 ALDH1A1 (0.49) HSD17B10ALOX15ALDH1A1HPGDPOLB
SCHEMBL7112477 0.65 NOS2 (0.34) HSD17B10ALOX15ALDH1A1GAAADORA3
SCHEMBL12261737 0.64 HTT (0.41) HSD17B10ALOX15ALDH1A1HPGDGAA
SCHEMBL9413819 0.63 CDK1 (0.32)
SCHEMBL7473943 0.62 GSK3B (0.38) HSD17B10ALOX15ALDH1A1HPGDPOLB

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
EP-0584797-A2 Novel cephalosporin compounds and processes for the preparation thereof LUCKY LTD. (KR) 1994-03-02 EP disclosed