SCHEMBL4816840

SCHEMBL4816840

O=C(/C=C/c1ccc(OCC(F)F)cc1)Nc1nc(-c2ccncc2)cs1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.66
LMNA P02545 5/20 0.66
MAPK1 P28482 5/20 0.66
KDM4E B2RXH2 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
PARP1 P09874 2/20 0.57
HDAC4 P56524 2/20 0.52
MEF2D Q14814 2/20 0.52
PTGS2 P35354 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
ROCK1 Q13464 4/20 0.47
ALDH1A1 P00352 1/20 0.47
ROCK2 O75116 3/20 0.46

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
SCHEMBL4816831 1.00 MAPT (0.66) MAPTLMNAMAPK1KDM4ESMN1; SMN2
SCHEMBL4816851 1.00 MAPT (0.66) MAPTLMNAMAPK1KDM4ESMN1; SMN2
SCHEMBL4750376 0.91 MAPT (0.58) MAPTLMNAMAPK1KDM4ESMN1; SMN2
SCHEMBL4750377 0.91 MAPT (0.58) MAPTLMNAMAPK1KDM4ESMN1; SMN2
SCHEMBL4750380 0.91 MAPT (0.58) MAPTLMNAMAPK1KDM4ESMN1; SMN2
SCHEMBL4815706 0.91 PARP1 (0.56) MAPTLMNAMAPK1KDM4ESMN1; SMN2
SCHEMBL4815697 0.91 PARP1 (0.56) MAPTLMNAMAPK1KDM4ESMN1; SMN2
SCHEMBL4815690 0.91 PARP1 (0.56) MAPTLMNAMAPK1KDM4ESMN1; SMN2
SCHEMBL4750744 0.90 PARP1 (0.60) MAPTLMNAMAPK1KDM4ESMN1; SMN2
SCHEMBL4750739 0.90 PARP1 (0.60) MAPTLMNAMAPK1KDM4ESMN1; SMN2

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