SCHEMBL11493834

SCHEMBL11493834

Cc1c(N)c(O)[nH]c(=O)c1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 5/20 0.55
KDM4E B2RXH2 7/20 0.49
ATM Q13315 2/20 0.49
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.38
GLA P06280 2/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
PHGDH O43175 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
USP2 O75604 1/20 0.35
RAB9A P51151 1/20 0.35
MCL1 Q07820 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8901518 0.82 UPP1 (0.61) UPP1KDM4EATMKMT2AMEN1
SCHEMBL16398184 0.81 KDM4E (0.61) UPP1KDM4EATMALDH1A1GAA
SCHEMBL11121714 0.75 UPP1 (0.69) UPP1KDM4EATMKMT2AMEN1
SCHEMBL11496948 0.75 UPP1 (0.53) UPP1KDM4EATMKMT2AMEN1
SCHEMBL1086023 0.75 UPP1 (0.53) UPP1KDM4EATMKMT2AMEN1
SCHEMBL6655303 0.74 UPP1 (0.68) UPP1KDM4EATMKMT2AMEN1
SCHEMBL6625526 0.73 UPP1 (0.66) UPP1KDM4EATMKMT2AMEN1
SCHEMBL11835926 0.71 UPP1 (0.49) UPP1KDM4EATMKMT2AMEN1
SCHEMBL11051571 0.71 UPP1 (0.56) UPP1KDM4EATMKMT2AMEN1
SCHEMBL16561918 0.71 UPP1 (1.00) UPP1KDM4EATMKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018091446-A1 PROCESS FOR DYEING AND FOAMING THERMOPLASTIC POLYURETHANE HUNTSMAN INTERNATIONAL LLC (US) 2018-05-24 WO disclosed
EP-1532196-B1 METHOD OF PRODUCING COLOURED PLASTICS OR POLYMERIC COLOUR PARTICLES BASF SE (DE) 2011-06-29 EP disclosed
EP-0019851-A1 1:2 Chromium complex dyestuffs of the azomethine and/or azo series, their preparation and use in dyeing and printing polyamide or cellulose materials CIBA-GEIGY AG (CH) 1980-12-10 EP disclosed