SCHEMBL9806950

SCHEMBL9806950

COC(=O)c1cc(C(=O)OC)c(N)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD2 Q8N5K1 1/20 0.57
GAA P10253 6/20 0.57
ALDH1A1 P00352 6/20 0.57
HPGD P15428 6/20 0.57
MAPT P10636 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 3/20 0.44
ATM Q13315 2/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
CFTR P13569 2/20 0.44
MAPK1 P28482 3/20 0.44
ABL1 P00519 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 3/20 0.42

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
SCHEMBL10891632 0.89 CISD2 (0.55) CISD2GAAALDH1A1HPGDMAPT
SCHEMBL13303999 0.86 CISD2 (0.52) CISD2GAAALDH1A1HPGDMAPT
SCHEMBL9400256 0.84 CISD2 (0.51) CISD2GAAALDH1A1HPGDMAPT
SCHEMBL2181959 0.81 ALDH1A1 (0.57) CISD2GAAALDH1A1HPGDMAPT
SCHEMBL3210679 0.81 CISD2 (0.47) CISD2GAAALDH1A1HPGDMAPT
SCHEMBL9722754 0.81 ALDH1A1 (0.61) CISD2GAAALDH1A1HPGDMAPT
SCHEMBL3206449 0.80 GAA (0.53) CISD2GAAALDH1A1HPGDMAPT
SCHEMBL9722802 0.80 CISD2 (0.60) CISD2GAAALDH1A1HPGDMAPT
SCHEMBL11581298 0.79 GAA (0.55) CISD2GAAALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL10734949 0.79 ALDH1A1 (0.55) CISD2GAAALDH1A1HPGDMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071968-A Lightfastness, compatibility with other dyes CIBA-GEIGY CORPORATION (US) 1991-12-10 US disclosed
EP-0388353-A1 Azodyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-09-19 EP disclosed