SCHEMBL28320654

SCHEMBL28320654

O=C(O)c1csc(Oc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
PTGER2 P43116 1/20 0.48
LDHA P00338 2/20 0.47
PIN1 Q13526 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
PTGER1 P34995 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 2/20 0.42
KMO O15229 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL9233259 0.89 MAPT (0.49) MAPTPIN1ALDH1A1KDM4EKMT2A
SCHEMBL16398928 0.83 KDM4E (0.57) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5343234 0.80 KDM4E (0.45) ALDH1A1KDM4ECYP1A2CYP2C19L3MBTL1
SCHEMBL8726514 0.80 PTGER2 (0.46) MAPTPTGER2LDHAPIN1ALDH1A1
SCHEMBL18002916 0.78 SMN1; SMN2 (0.43) MAPTPIN1ALDH1A1KDM4ECYP1A2
SCHEMBL16400081 0.78 ALDH1A1 (0.50) MAPTPIN1ALDH1A1KDM4EMEN1
SCHEMBL7110619 0.77 MAPT (0.74) MAPTALDH1A1MRGPRX4KDM4ECYP1A2
SCHEMBL2872521 0.77 PTGS1 (0.48) ALDH1A1KDM4EMEN1KMT2APPARG
SCHEMBL11587313 0.75 ALDH1A1 (0.61) MAPTPIN1ALDH1A1MRGPRX4KDM4E
SCHEMBL9669008 0.75 MAPT (0.44) MAPTPIN1ALDH1A1KDM4EMEN1

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-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 CN disclosed