SCHEMBL16229359

SCHEMBL16229359

CCCCc1c(Cl)nc(CS)nc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
PDK2 Q15119 1/20 0.31
HPGD P15428 2/20 0.31
HTT P42858 2/20 0.31
RAB9A P51151 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NOS2 P35228 1/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30

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
SCHEMBL16229360 0.80 GCGR (0.36) TYMPL3MBTL1ALDH1A1TLR8TLR7
SCHEMBL11862558 0.79 TYMP (0.38) TYMPL3MBTL1ALDH1A1TLR8TLR7
SCHEMBL12495762 0.79 PDK2 (0.42) TYMPL3MBTL1ALDH1A1TLR8TLR7
SCHEMBL12495812 0.76 L3MBTL1 (0.40) TYMPL3MBTL1ALDH1A1HPGDHTT
SCHEMBL12496378 0.75 HPGD (0.41) TYMPL3MBTL1ALDH1A1TLR8TLR7
SCHEMBL12496379 0.75 TLR8 (0.47) TYMPTLR8TLR7HPGDNPSR1
SCHEMBL18097936 0.73 PDE10A (0.39) ALDH1A1MAPTTDP1
SCHEMBL9739003 0.73 TLR8 (0.36) TYMPALDH1A1TLR8TLR7HTT
SCHEMBL5158467 0.72 PDE10A (0.35) TYMPL3MBTL1ALDH1A1PDK2KMT2A
SCHEMBL12496096 0.72 CYP1A2 (0.39) TYMPL3MBTL1ALDH1A1TLR8TLR7

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
US-8883798-B2 Pyrimidine compounds inhibiting the formation of nitric oxide and prostaglandin E2, method of production thereof and use thereof USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CR, v.v.i. (CZ) 2014-11-11 US disclosed