SCHEMBL9769956

SCHEMBL9769956

COC(=O)CNCC(=O)Nc1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 17/20 0.45
MEN1 O00255 15/20 0.45
KMT2A Q03164 15/20 0.45
HSD17B10 Q99714 12/20 0.45
ALOX15 P16050 10/20 0.45
ALDH1A1 P00352 10/20 0.45
HPGD P15428 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 11/20 0.45
USP2 O75604 3/20 0.45
KDM4E B2RXH2 3/20 0.45
TP53 P04637 7/20 0.44
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
HTT P42858 4/20 0.44
NPC1 O15118 4/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.43
PKM P14618 4/20 0.43
GFER P55789 3/20 0.43

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
SCHEMBL9779589 0.87 MEN1 (0.51) GAAMEN1KMT2AHSD17B10ALOX15
SCHEMBL9779443 0.86 GAA (0.41) GAAMEN1KMT2AHSD17B10ALOX15
Hydrochloric Acid SCHEMBL9326180 0.81 GAA (0.45) GAAMEN1KMT2AHSD17B10ALOX15
SCHEMBL1839853 0.79 GAA (0.44) GAAMEN1KMT2AHSD17B10ALOX15
Hydrochloric Acid SCHEMBL2746299 0.78 GAA (0.43) GAAMEN1KMT2AHSD17B10ALOX15
SCHEMBL3422728 0.75 GAA (0.55) GAAMEN1KMT2AHSD17B10ALOX15
Hydrochloric Acid SCHEMBL28317066 0.74 GAA (0.54) GAAMEN1KMT2AHSD17B10ALOX15
SCHEMBL27309318 0.73 GAA (0.56) GAAMEN1KMT2AHSD17B10ALOX15
SCHEMBL21789041 0.73 POLB (0.51) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL6464495 0.72 ADORA2A (0.56) GAAMEN1KMT2AHSD17B10ALOX15

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-4987134-A DISORDERS OF BRAIN FUNCTIONS CASSELLA AKTIENGESELLSCHAFT (DE) 1991-01-22 US disclosed