SCHEMBL5227899

SCHEMBL5227899

Nc1ccc2sc(COC(=O)OCc3nc4c(Cl)c(N)ccc4s3)nc2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 6/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
AKR1B1 P15121 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 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
SCHEMBL5232715 0.83 CYP1A2 (0.39) CYP1A2CYP2C19MAPTL3MBTL1SMN1; SMN2
SCHEMBL617951 0.67 NPC1 (0.44) CYP1A2CYP2C19MAPTSMN1; SMN2LMNA
SCHEMBL27453303 0.63 MEN1 (0.56) MAPTSMN1; SMN2AKR1B1LMNAHPGD
SCHEMBL4940739 0.62 CYP1A2 (0.49) CYP1A2CYP2C19MAPTL3MBTL1SMN1; SMN2
SCHEMBL8858952 0.62 AKR1B1 (0.46) CYP2C19MAPTSMN1; SMN2AKR1B1LMNA
SCHEMBL28366866 0.60 CYP1A2 (0.50) CYP1A2CYP2C19MAPTL3MBTL1SMN1; SMN2
SCHEMBL10514966 0.60 MEN1 (0.51) MAPTSMN1; SMN2AKR1B1LMNAHPGD
SCHEMBL20511910 0.59 CYP1A2 (0.73) CYP1A2CYP2C19MAPTL3MBTL1SMN1; SMN2
SCHEMBL11865568 0.59 NPC1 (0.43) MAPTL3MBTL1SMN1; SMN2RAB9ANPC1
SCHEMBL11496696 0.58 LMNA (0.53) MAPTL3MBTL1SMN1; SMN2LMNACYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799661-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES AstraZeneca AB (SE) 2007-06-27 EP disclosed
WO-2006038871-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES ASTRAZENECA AB (SE) 2006-04-13 WO disclosed
EP-1622884-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). AstraZeneca AB (SE) 2006-02-08 EP disclosed
WO-2004096784-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). ASTRAZENECA AB (SE) 2004-11-11 WO disclosed