SCHEMBL8927422

SCHEMBL8927422

CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(c4ccc(OC)nn4)CC3)nc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.47
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 2/20 0.37
MCHR1 Q99705 3/20 0.36
TACR3 P29371 1/20 0.36
RET P07949 1/20 0.36
RAB9A P51151 2/20 0.35
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34
DRD4 P21917 1/20 0.34
MGLL Q99685 1/20 0.33

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
SCHEMBL8931682 0.90 DGAT1 (0.48) DGAT1MAPTGAALMNAKDM4E
SCHEMBL8813497 0.90 DGAT1 (0.48) DGAT1MAPTGAALMNAKDM4E
SCHEMBL8931730 0.89 MAPT (0.54) DGAT1MAPTGAALMNAKDM4E
SCHEMBL8926713 0.88 DGAT1 (0.44) DGAT1MAPTGAALMNAKDM4E
SCHEMBL8927419 0.88 DGAT1 (0.47) DGAT1MAPTGAALMNAKDM4E
SCHEMBL8931744 0.87 DGAT1 (0.48) DGAT1MAPTGAALMNAKDM4E
SCHEMBL8931121 0.87 DGAT1 (0.53) DGAT1MAPTGAALMNAKDM4E
SCHEMBL8931691 0.87 DGAT1 (0.53) DGAT1MAPTGAALMNAKDM4E
SCHEMBL7878336 0.87 DGAT1 (0.53) DGAT1MAPTGAALMNAKDM4E
SCHEMBL8931715 0.87 DGAT1 (0.55) DGAT1MAPTGAALMNAKDM4E

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-5607932-A Heterocyclic derivatives of azolones JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-04 US disclosed