SCHEMBL4553717

SCHEMBL4553717

Nc1cc(CC(Cc2ccccc2)C2=COCO2)nn1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.33
PKM P14618 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
F2 P00734 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.30
ALPI P09923 1/20 0.30
PTGS1 P23219 1/20 0.30
XIAP P98170 1/20 0.30
SLC7A5 Q01650 1/20 0.30
LMNA P02545 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL65279 0.86 YAP1 (0.32) SLC7A5
SCHEMBL64289 0.74 CDC7 (0.32)
SCHEMBL3563505 0.73 MIF (0.43) MIFPKMALPIPTGS1XIAP
SCHEMBL1430902 0.72 MIF (0.56) MIFPKMKMT2AALPIPTGS1
SCHEMBL5073587 0.71 MIF (0.39) MIFPKMNPSR1KMT2AALPI
SCHEMBL938718 0.71 EPHX1 (0.37) MIFPKMALDH1A1ALPIPTGS1
SCHEMBL3748652 0.71 TRPA1 (0.40) MIFPKMALPIPTGS1XIAP
SCHEMBL15547346 0.70 MTNR1A (0.43) MIFPKMALDH1A1NPSR1KMT2A
SCHEMBL5884516 0.70 MTNR1A (0.41) MIFPKMALDH1A1NPSR1KMT2A
SCHEMBL2466830 0.70 EPHX1 (0.55) MIFPKMALDH1A1KMT2AALPI

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
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed