SCHEMBL5036054

SCHEMBL5036054

COc1ccc(N(C(=O)c2ccccc2Cl)c2nc(OC(=O)NC3CCCCC3)cs2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
FAAH O00519 1/20 0.37
EPHX1 P07099 1/20 0.37
GRM4 Q14833 1/20 0.36
ALDH1A1 P00352 1/20 0.36
UBE2N P61088 1/20 0.36

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
SCHEMBL5034993 0.91 MEN1 (0.41) RAB9AMEN1KMT2ANPC1L3MBTL1
SCHEMBL5034757 0.87 NPC1 (0.44) RAB9AMEN1KMT2ANPC1L3MBTL1
SCHEMBL5041310 0.84 CES2 (0.37) RAB9AMEN1KMT2ACES2CES1
SCHEMBL5035310 0.82 HPGD (0.40) MEN1KMT2APOLBCES2CES1
SCHEMBL5039139 0.81 SMN1; SMN2 (0.40) RAB9AL3MBTL1POLBCES2CES1
SCHEMBL5034732 0.78 CNR1 (0.44) RAB9AMEN1KMT2ANPC1L3MBTL1
SCHEMBL5032563 0.77 ALDH1A1 (0.47) POLBCES2CES1GRM4ALDH1A1
SCHEMBL5032620 0.76 HPGD (0.39) MEN1KMT2APOLBALDH1A1
SCHEMBL5035129 0.75 TRPC3 (0.40) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL27664741 0.74 HTR2C (0.47) POLB

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
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed