SCHEMBL4815706

SCHEMBL4815706

O=C(C=Cc1ccc(OCC(F)F)cc1)Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.56
MAPT P10636 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
KDM4E B2RXH2 5/20 0.56
LMNA P02545 4/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC3 O15379 1/20 0.48
ABL1 P00519 1/20 0.48
PDGFRB P09619 1/20 0.48
BCR P11274 1/20 0.48
KDR P35968 1/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL4815690 1.00 PARP1 (0.56) PARP1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4815697 1.00 PARP1 (0.56) PARP1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4816831 0.91 MAPT (0.66) PARP1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4816840 0.91 MAPT (0.66) PARP1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4816851 0.91 MAPT (0.66) PARP1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4750376 0.86 MAPT (0.58) PARP1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4750380 0.86 MAPT (0.58) PARP1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4750377 0.86 MAPT (0.58) PARP1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4750744 0.85 PARP1 (0.60) PARP1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4750739 0.85 PARP1 (0.60) PARP1MAPTSMN1; SMN2KDM4ELMNA

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