SCHEMBL9615064

SCHEMBL9615064

NC(=O)c1c[c]c[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
PARP1 P09874 1/20 0.33
TYK2 P29597 1/20 0.32
PDPK1 O15530 1/20 0.32
NAPRT Q6XQN6 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1908349 0.71
SCHEMBL9669000 0.64 GAA (0.35) ALDH1A1PARP1KDM4EMAPTHPGD
SCHEMBL82637 0.64 NAPRT (0.67) ALDH1A1ATMPARP1TYK2PDPK1
SCHEMBL1210877 0.62 SIRT3 (0.41) ALDH1A1ATMPARP1KDM4EMAPT
Hydrochloric Acid SCHEMBL30935942 0.62 NAPRT (0.64) ALDH1A1ATMPARP1TYK2PDPK1
SCHEMBL18696150 0.62 CDC7 (0.43) ALDH1A1ATMPARP1TYK2KDM4E
SCHEMBL12970754 0.62 ALDH1A1 (0.38) ALDH1A1ATMPARP1KDM4EMAPT
SCHEMBL10850227 0.62 PDPK1 (0.59) PDPK1
SCHEMBL5190778 0.61 ERCC1 (0.53) ALDH1A1ATMPARP1KDM4EMAPT
SCHEMBL16918372 0.61 DAO (0.53) ALDH1A1ATMPARP1KDM4EHSD17B10

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
EP-0511246-A1 WATER-SOLUBLE DYES WHICH REACT WITH FIBRES, PROCESS FOR PRODUCING THEM AND THEIR USE. HOECHST AG (DE) 1992-11-04 EP disclosed