SCHEMBL28081572

SCHEMBL28081572

N#CSCC(=O)c1ccccc1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.62
HPGD P15428 6/20 0.62
MAPT P10636 5/20 0.62
HTT P42858 2/20 0.62
HSP90AA1 P07900 1/20 0.62
GAA P10253 1/20 0.42
HSD17B10 Q99714 7/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CFTR P13569 1/20 0.41
KDM4E B2RXH2 5/20 0.39
TSHR P16473 2/20 0.38
MMP2 P08253 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL3642633 0.79 ALDH1A1 (0.62) ALDH1A1HPGDMAPTHTTHSP90AA1
SCHEMBL30377988 0.79 ALDH1A1 (0.62) ALDH1A1HPGDMAPTHTTHSP90AA1
SCHEMBL3761650 0.79 ALDH1A1 (0.62) ALDH1A1HPGDMAPTHTTHSP90AA1
SCHEMBL3765579 0.79 ALDH1A1 (0.62) ALDH1A1HPGDMAPTHTTHSP90AA1
SCHEMBL9693886 0.77 MAPT (0.49) ALDH1A1HPGDMAPTGAAHSD17B10
SCHEMBL11153776 0.76 ALDH1A1 (0.57) ALDH1A1HPGDMAPTHTTHSP90AA1
SCHEMBL27711563 0.76 ALDH1A1 (0.58) ALDH1A1HPGDMAPTHTTHSP90AA1
SCHEMBL955563 0.74 ALDH1A1 (0.56) ALDH1A1HPGDMAPTHTTHSP90AA1
SCHEMBL8275970 0.74 ALDH1A1 (0.46) ALDH1A1HPGDMAPTGAAHSD17B10
SCHEMBL3767429 0.73 ALDH1A1 (0.59) ALDH1A1HPGDMAPTHTTHSP90AA1

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
CN-105670228-A High thermal conductive and insulating material and preparation method thereof 苏州锦腾电子科技有限公司 2016-06-15 CN disclosed