SCHEMBL4749672

SCHEMBL4749672

CC(=O)Nc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.78
MAPT P10636 9/20 0.70
LMNA P02545 7/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
KDM4E B2RXH2 4/20 0.70
MAPK1 P28482 3/20 0.70
KMT2A Q03164 13/20 0.65
MEN1 O00255 12/20 0.65
ALDH1A1 P00352 4/20 0.65
HTT P42858 3/20 0.65
HPGD P15428 2/20 0.62
RECQL P46063 1/20 0.62
RAB9A P51151 5/20 0.60
NPC1 O15118 3/20 0.60
POLB P06746 2/20 0.60
GAA P10253 5/20 0.58
PKM P14618 1/20 0.58
GSTO1 P78417 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
PTGS2 P35354 1/20 0.57

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
SCHEMBL4420213 0.82 PARP1 (0.64) PARP1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL4420218 0.82 PARP1 (0.64) PARP1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL1822161 0.81 KMT2A (0.73) MAPTLMNASMN1; SMN2KDM4EMAPK1
SCHEMBL3621179 0.81 PARP1 (0.84) PARP1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL3621177 0.81 PARP1 (0.84) PARP1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL2020280 0.80 ABL1 (0.73) PARP1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL16607163 0.80 ALDH1A1 (0.79) PARP1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL4747433 0.80 PARP1 (0.78) PARP1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL4747429 0.80 PARP1 (0.78) PARP1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL4747427 0.80 PARP1 (0.78) PARP1MAPTLMNASMN1; SMN2KDM4E

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