SCHEMBL5041310

SCHEMBL5041310

COCNC(=O)Oc1csc(N(C(=O)c2ccccc2Cl)c2ccc(OC)c(OC)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PTGS2 P35354 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
NR1H4 Q96RI1 2/20 0.35
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
S1PR1 P21453 1/20 0.33
QPCT Q16769 1/20 0.33
RAF1 P04049 1/20 0.33
MAP2K1 Q02750 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL5035310 0.90 HPGD (0.40) CES2CES1SMN1; SMN2LMNAHPGD
SCHEMBL5032672 0.86 TLR7 (0.40) CES2CES1SMN1; SMN2PTGS2LMNA
SCHEMBL5039139 0.85 SMN1; SMN2 (0.40) CES2CES1SMN1; SMN2PTGS2LMNA
SCHEMBL5036054 0.84 RAB9A (0.39) CES2CES1KMT2AMEN1ALDH1A1
SCHEMBL5032620 0.83 HPGD (0.39) LMNAHPGDKDM4EKMT2AMAPT
SCHEMBL5039110 0.81 CYP3A4 (0.42) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL5041390 0.81 KMT2A (0.42) LMNAHPGDKDM4EKMT2AMAPT
SCHEMBL5032563 0.79 ALDH1A1 (0.47) CES2CES1SMN1; SMN2PTGS2LMNA
SCHEMBL5035133 0.78 HPGD (0.47) SMN1; SMN2LMNAHPGDKDM4EKMT2A
SCHEMBL5032679 0.77 LMNA (0.47) CES2CES1SMN1; SMN2LMNAHPGD

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