SCHEMBL27987662

SCHEMBL27987662

COC(=O)c1cccc(-n2ncc(C(=O)O)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
GRM5 P41594 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 2/20 0.43
PMM2 O15305 1/20 0.43
MPI P34949 1/20 0.43
PHOSPHO1 Q8TCT1 1/20 0.43
KDM6B O15054 1/20 0.43
KDM5C P41229 1/20 0.43

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
SCHEMBL10783183 0.83 TP53 (0.51) TP53ADORA2AADORA1ALDH1A1HPGD
SCHEMBL15577161 0.82 ADORA2A (0.56) ADORA2AADORA1ALDH1A1HPGDMAPT
SCHEMBL15578745 0.79 RPA1 (0.53) ADORA2AALDH1A1RAB9A
SCHEMBL32674134 0.79 MAPT (0.59) ADORA2AADORA1ALDH1A1HPGDMAPT
SCHEMBL10783819 0.79 TP53 (0.47) TP53ADORA2AADORA1ALDH1A1HPGD
SCHEMBL15577228 0.77 PKM (0.56) ALDH1A1MAPTL3MBTL1KDM4EGAA
SCHEMBL1752087 0.76 P2RX7 (0.53) ALDH1A1HPGDKDM4ERAB9ATSHR
SCHEMBL27988017 0.76 GRM5 (0.56) TP53ALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL15577160 0.76 ADAMTS7 (0.49) MAPTKDM4EMAPK1RAB9A
SCHEMBL6165168 0.75 HPGDS (0.61) TP53ALDH1A1HPGDCYP1A2CYP2D6

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
CN-104159892-A Substituted phenyl azole derivatives DAIICHI SANKYO CO LTD 2014-11-19 CN disclosed