SCHEMBL8815089

SCHEMBL8815089

CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(c4cccnc4)CC3)nc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.51
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 4/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HRH3 Q9Y5N1 4/20 0.38
MCHR1 Q99705 1/20 0.37
POLB P06746 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
SCHEMBL8927569 0.92 DGAT1 (0.53) DGAT1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL8814492 0.91 DGAT1 (0.48) DGAT1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL8814915 0.90 DGAT1 (0.51) DGAT1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL8926249 0.90 DGAT1 (0.51) DGAT1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL8931691 0.89 DGAT1 (0.53) DGAT1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL8931698 0.89 DGAT1 (0.56) DGAT1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL8931761 0.88 DGAT1 (0.54) DGAT1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL8931121 0.87 DGAT1 (0.53) DGAT1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL7878336 0.87 DGAT1 (0.53) DGAT1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL8931650 0.87 DGAT1 (0.51) DGAT1MAPTALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770073-A1 ANTI-HELICOBACTER HETEROCYCLIC DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-02 EP disclosed
US-5607932-A Heterocyclic derivatives of azolones JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-04 US disclosed
WO-1996001821-A1 ANTI-HELICOBACTER HETEROCYCLIC DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1996-01-25 WO disclosed