SCHEMBL4664301

SCHEMBL4664301

COC(=O)c1cc(OCCc2ccccc2Cl)c(C(=O)OC)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RX4 Q99571 1/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
AKT3 Q9Y243 1/20 0.37

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
SCHEMBL4664198 0.87 MAPT (0.40) MAPTHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL4772562 0.87 MAPT (0.44) MAPTHPGDKDM4ESMN1; SMN2TP53
SCHEMBL5141389 0.87 MAPT (0.44) MAPTHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL4778613 0.81 KMT2A (0.57) MAPTHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL4662905 0.80 PLK1 (0.47) MAPTHPGDKDM4EALDH1A1TP53
SCHEMBL4198064 0.80 MAPT (0.39) MAPTHPGDKDM4ESMN1; SMN2TP53
SCHEMBL4662743 0.79 MAPT (0.43) MAPTHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL6210332 0.74 PLK1 (0.56)
SCHEMBL1813590 0.74 KDM4E (0.46) MAPTHPGDKDM4EMRGPRX4LMNA
SCHEMBL577918 0.72 PLK1 (0.46) MAPTHPGDALDH1A1

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-2007757-A2 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmceuticals Incorporated (US) 2008-12-31 EP disclosed
WO-2007120760-A2 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 WO disclosed