SCHEMBL7002158

SCHEMBL7002158

O=C1CC(=O)NC(SCc2ccccc2)=N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
DNMT1 P26358 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DAO P14920 3/20 0.45
LMNA P02545 2/20 0.45
MAOB P27338 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 2/20 0.42
PKM P14618 2/20 0.42
KMT2A Q03164 1/20 0.42
SCN9A Q15858 1/20 0.42
TSHR P16473 1/20 0.42
GFER P55789 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOA P21397 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
CTSB P07858 2/20 0.40
XDH P47989 1/20 0.40

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
SCHEMBL22275697 0.85 POLB (0.46) POLBDNMT1CTDSP1TDP1LMNA
SCHEMBL4082463 0.76 CXCR2 (0.47) POLBDNMT1CTDSP1TDP1ALDH1A1
SCHEMBL22275638 0.73 CTSB (0.40) POLBDNMT1CTDSP1TDP1LMNA
SCHEMBL11700115 0.68 DRD2 (0.50) POLBLMNAMAOBKMT2AL3MBTL1
SCHEMBL5637832 0.68 AHR (0.47) POLBDAOLMNAMAOBALDH1A1
SCHEMBL3691200 0.67 POLB (0.35) POLBDNMT1CTDSP1TDP1MAPT
SCHEMBL7918830 0.67 ALDH1A1 (0.47) POLBTDP1LMNAALDH1A1MAPT
SCHEMBL11702770 0.67 MAOA (0.54) DAOMAOBMAOADDB1CRBN
SCHEMBL28800703 0.67 S100A4 (0.63) POLBDAOLMNAMAOBALDH1A1
SCHEMBL3163430 0.65 MAPT (0.65) LMNAMAOBALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257555-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-12-03 EP disclosed
EP-1257555-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2002-11-20 EP disclosed
WO-2001058906-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-08-16 WO disclosed