SCHEMBL7701338

SCHEMBL7701338

CCOC(=O)C1=C[N]c2ccc(S(C)(=O)=O)cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.39
NR1H2 P55055 2/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
GLP1R P43220 1/20 0.36
TSHR P16473 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL3223527 0.74 MAP4K4 (0.39) LMNAPTGDR2
SCHEMBL11466620 0.69 GABRP (0.33) CA12CA9KMT2AGAAKDM4E
SCHEMBL28526673 0.68 TSHR (0.49) CA12CA9KMT2AGAAKDM4E
SCHEMBL6827036 0.67 CA12 (0.64) NR1H2CA12CA9KMT2AKDM4E
SCHEMBL63779 0.67 KMT2A (0.64) CA12CA9KMT2AGAALMNA
SCHEMBL3222455 0.66 MAP4K4 (0.39) LMNA
SCHEMBL8492583 0.66 ALDH1A1 (0.55) CA12CA9KMT2AGAAKDM4E
SCHEMBL22852765 0.66 KDM4E (0.47) CA12CA9KMT2AGAAKDM4E
SCHEMBL30294881 0.66 KDM4E (0.47) CA12CA9KMT2AGAAKDM4E
SCHEMBL28519051 0.66 CA1 (0.50) PTGS2CA12CA9KMT2AKDM4E

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
WO-2002068394-A1 QUINOLINE DERIVATIVE AS TYROSINE KINASE INHIBITOR GLAXO GROUP LIMITED (GB) 2002-09-06 WO disclosed