SCHEMBL9860835

SCHEMBL9860835

CCOC(=O)c1nc(NN)sc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
ALDH1A1 P00352 9/20 0.48
CYP1A2 P05177 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 4/20 0.41
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 2/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TLR9 Q9NR96 1/20 0.39
KDM5B Q9UGL1 1/20 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
SCHEMBL17895646 0.84 GAA (0.67) GAAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL9861429 0.84 NPSR1 (0.45) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL595150 0.80 ALDH1A1 (0.69) GAAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL9861374 0.79 ALDH1A1 (0.50) GAAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL10317272 0.79 ALDH1A1 (0.50) GAAALDH1A1CYP1A2MAPTSMN1; SMN2
SCHEMBL595444 0.78 ALDH1A1 (0.49) GAAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL16705221 0.76 ALDH1A1 (0.47) GAAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL26281760 0.76 ALDH1A1 (0.47) GAAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL3046343 0.75 ALDH1A1 (0.70) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL12849586 0.74 ALDH1A1 (0.45) GAAALDH1A1CYP1A2MEN1KMT2A

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-5068343-A Fungicides for plants BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed