SCHEMBL5823944

SCHEMBL5823944

Cc1nc(-c2ccccc2)c(CC(=O)O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
CYP1A2 P05177 2/20 0.48
PTGDR2 Q9Y5Y4 5/20 0.47
POLB P06746 2/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.41
NTRK1 P04629 1/20 0.41

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
SCHEMBL6547467 0.97 KDM4E (0.50) KDM4ESMN1; SMN2HPGDCYP1A2PTGDR2
SCHEMBL11280088 0.81 KDM4E (0.58) KDM4ESMN1; SMN2HPGDCYP1A2POLB
SCHEMBL5762947 0.75 KDM4E (0.62) KDM4ESMN1; SMN2HPGDCYP1A2POLB
SCHEMBL27653921 0.75 HPGD (0.58) KDM4ESMN1; SMN2HPGDCYP1A2POLB
SCHEMBL11994175 0.74 KDM4E (0.53) KDM4ESMN1; SMN2HPGDCYP1A2ALDH1A1
SCHEMBL5820644 0.74 EGFR (0.53) NR4A2ALDH1A1
SCHEMBL4879884 0.72 KDM4E (0.59) KDM4ESMN1; SMN2HPGDCYP1A2POLB
SCHEMBL7601774 0.71 HPGD (0.68) KDM4ESMN1; SMN2HPGDCYP1A2POLB
SCHEMBL6493957 0.71 ADORA3 (0.55) KDM4ESMN1; SMN2HPGDCYP1A2ALDH1A1
SCHEMBL27872988 0.70 KDM4E (0.45) KDM4ESMN1; SMN2HPGDCYP1A2PTGDR2

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-2006085815-A1 THIAZOLE DERIVATIVES, THEIR PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-08-17 WO disclosed