SCHEMBL13754331

SCHEMBL13754331

CCc1c(Sc2ccc(C)cc2)nc2sccn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
POLB P06746 3/20 0.40
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
DYRK1A Q13627 1/20 0.38
NR1I3 Q14994 2/20 0.38
GAA P10253 3/20 0.38
MAPK1 P28482 2/20 0.37
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
VCAM1 P19320 1/20 0.37

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
SCHEMBL6417811 0.77 PKM (0.39) MAPTPOLBTP53SMN1; SMN2HTT
SCHEMBL18891692 0.74 DYRK1A (0.42) MAPTPOLBTP53SMN1; SMN2HTT
SCHEMBL13990817 0.73 ALOX12 (0.56) MAPTSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL14754844 0.70 NR1I3 (0.52) MAPTPOLBTP53SMN1; SMN2NPC1
SCHEMBL17039300 0.68 DYRK1A (0.51) MAPTPOLBTP53SMN1; SMN2ALDH1A1
SCHEMBL1692245 0.67 NR1I3 (0.55) MAPTPOLBTP53DYRK1ANR1I3
SCHEMBL6099806 0.66 DYRK1A (0.57) MAPTPOLBTP53SMN1; SMN2NPC1
SCHEMBL20878604 0.66 DYRK1A (0.45) MAPTPOLBTP53SMN1; SMN2ALDH1A1
SCHEMBL6100431 0.66 DYRK1A (0.49) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL20078261 0.66 IDO1 (0.57) MAPTTP53HTTALDH1A1TSHR

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
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed