SCHEMBL11239998

SCHEMBL11239998

CCC(c1c(O)[nH]c(=O)c(C#N)c1C)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 5/20 0.55
KDM4E B2RXH2 7/20 0.39
ATM Q13315 2/20 0.39
GLA P06280 1/20 0.35
ALDH1A1 P00352 5/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
MCL1 Q07820 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL11496948 0.77 UPP1 (0.53) UPP1KDM4EATMGLAALDH1A1
SCHEMBL10618301 0.76 UPP1 (0.46) UPP1KDM4EATMGLAALDH1A1
SCHEMBL16561956 0.71 UPP1 (0.74) UPP1KDM4EATMGLAALDH1A1
SCHEMBL8901518 0.71 UPP1 (0.61) UPP1KDM4EATMGLAALDH1A1
SCHEMBL11121714 0.71 UPP1 (0.69) UPP1KDM4EATMGLAALDH1A1
SCHEMBL16561918 0.71 UPP1 (1.00) UPP1KDM4EATMGLAALDH1A1
SCHEMBL6625526 0.69 UPP1 (0.66) UPP1KDM4EATMGLAALDH1A1
SCHEMBL11051571 0.68 UPP1 (0.56) UPP1KDM4EATMGLAALDH1A1
SCHEMBL5182348 0.68 UPP1 (0.64) UPP1KDM4EATMGLAALDH1A1
SCHEMBL11493834 0.67 UPP1 (0.55) UPP1KDM4EATMGLAALDH1A1

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-4327018-A Azo dyes and the production and use thereof CIBA-GEIGY CORPORATION (US) 1982-04-27 US disclosed