SCHEMBL13634634

SCHEMBL13634634

Cc1ccc(NC2CCOCC2)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.48
WDR77 Q9BQA1 2/20 0.48
NR1H4 Q96RI1 1/20 0.40
CASR P41180 1/20 0.40
PTPN1 P18031 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
RIPK2 O43353 1/20 0.38
GFER P55789 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL25063316 0.78 KDM4E (0.49) PRMT5WDR77PTPN1PTGS1PTGS2
SCHEMBL24074254 0.77 MAPT (0.44) PTPN1KDM4EGAATSHR
SCHEMBL30338987 0.77 MAPT (0.44) PTPN1KDM4EGAATSHR
SCHEMBL171233 0.76 BACE1 (0.46) PRMT5WDR77PTGS1PTGS2MAPK1
SCHEMBL17308602 0.76 RAPGEF4 (0.46) MAPK1TSHRPOLB
SCHEMBL6120734 0.75 TDP1 (0.49) TSHR
SCHEMBL30258360 0.74 ALDH1A1 (0.63) PTPN1RIPK2MAPK1
SCHEMBL15830060 0.73 BACE1 (0.48) PRMT5WDR77PTGS1PTGS2MAPK1
SCHEMBL23269826 0.72 HCAR3 (0.40) MAPK1KDM4EGAATSHR
SCHEMBL20129698 0.71 MTOR (0.49) KDM4EGAACYP1A2

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed