SCHEMBL9800644

SCHEMBL9800644

Cc1cc(CCl)cc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.50
CCR8 P51685 5/20 0.50
CCR5 P51681 3/20 0.45
PSMD14 O00487 2/20 0.45
COPS5 Q92905 1/20 0.45
PRMT5 O14744 1/20 0.44
LMNA P02545 6/20 0.43
DYRK1A Q13627 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 6/20 0.41
MAPT P10636 5/20 0.41
HTT P42858 4/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GMNN O75496 1/20 0.41

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
SCHEMBL4586563 0.86 CCR1 (0.50) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL24368249 0.84 CCR1 (0.51) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL21525701 0.80 CCR1 (0.47) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL4330878 0.78 CCR1 (0.45) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL3594386 0.78 SLC22A12 (0.46) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL7450182 0.77 CCR1 (0.55) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL874272 0.76 PSMD14 (0.67) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL24338582 0.75 ALDH1A1 (0.49) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL12093369 0.74 CCR1 (0.56) CCR1CCR8CCR5PSMD14COPS5
SCHEMBL5544307 0.73 CCR1 (0.55) CCR1CCR8CCR5PSMD14COPS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261539-B1 SUBSTITUTED PHENYL-SULPHON AMIDES BAYER AG (DE) 1991-03-06 EP disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 EP disclosed