SCHEMBL9267989

SCHEMBL9267989

CCCC(CO)Nc1nc(N2CCN(c3ccccc3Cl)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 7/20 0.35
▸ TLR7 Q9NYK1 3/20 0.35
▸ KCNH2 Q12809 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ MAT2A P31153 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CRHR1 P34998 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL4072273 0.87 CETP (0.37) TLR8TLR7KDM4EALDH1A1SMN1; SMN2
SCHEMBL12872225 0.86 MAT2A (0.35) KDM4ELMNAALDH1A1SMN1; SMN2DRD2
SCHEMBL8033487 0.86 MAT2A (0.35) KDM4ELMNAALDH1A1SMN1; SMN2DRD2
SCHEMBL591223 0.83 TLR8 (0.32) TLR8TLR7HTR2ACRHR1
SCHEMBL1185833 0.82 PHGDH (0.39) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL186581 0.82 CCR1 (0.35) DRD2MAPT
SCHEMBL12921206 0.79 CRHR1 (0.32) TLR8TLR7KCNH2CRHR1
SCHEMBL10266442 0.79 TLR8 (0.33) TLR8TLR7KCNH2
SCHEMBL1186159 0.78 ALDH1A1 (0.32) KDM4ELMNAALDH1A1SMN1; SMN2DRD2
SCHEMBL557666 0.78 TLR8 (0.34) TLR8TLR7KCNH2KDM4EALDH1A1

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-2214673-B1 PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-05-30 — — EP disclosed
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