SCHEMBL4750377

SCHEMBL4750377

O=C(/C=C/c1ccc(OCC(F)F)cc1)Nc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
LMNA P02545 7/20 0.58
KDM4E B2RXH2 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
PARP1 P09874 2/20 0.56
MAPK1 P28482 4/20 0.53
PTGS2 P35354 1/20 0.51
KMT2A Q03164 8/20 0.48
GSTO1 P78417 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
MEN1 O00255 7/20 0.46
HTT P42858 3/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
CDC25A P30304 2/20 0.45
CDC25B P30305 2/20 0.45
CDC25C P30307 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL4750376 1.00 MAPT (0.58) MAPTLMNAKDM4ESMN1; SMN2PARP1
SCHEMBL4750380 1.00 MAPT (0.58) MAPTLMNAKDM4ESMN1; SMN2PARP1
SCHEMBL4750744 0.91 PARP1 (0.60) MAPTLMNAKDM4ESMN1; SMN2PARP1
SCHEMBL4750739 0.91 PARP1 (0.60) MAPTLMNAKDM4ESMN1; SMN2PARP1
SCHEMBL4750741 0.91 PARP1 (0.60) MAPTLMNAKDM4ESMN1; SMN2PARP1
SCHEMBL4816831 0.91 MAPT (0.66) MAPTLMNAKDM4ESMN1; SMN2PARP1
SCHEMBL4816840 0.91 MAPT (0.66) MAPTLMNAKDM4ESMN1; SMN2PARP1
SCHEMBL4816851 0.91 MAPT (0.66) MAPTLMNAKDM4ESMN1; SMN2PARP1
SCHEMBL4749669 0.86 MAPT (0.58) MAPTLMNAKDM4ESMN1; SMN2PARP1
SCHEMBL4747422 0.86 LMNA (0.58) MAPTLMNAKDM4ESMN1; SMN2PARP1

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-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 WO claimed