SCHEMBL8814915

SCHEMBL8814915

CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(c4ccccn4)CC3)nc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.51
KDM4E B2RXH2 5/20 0.46
DRD4 P21917 7/20 0.40
DRD2 P14416 4/20 0.40
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
ADRB2 P07550 2/20 0.39
ESR1 P03372 1/20 0.39
HPGD P15428 1/20 0.39
CREBBP Q92793 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
STAT6 P42226 1/20 0.39

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
SCHEMBL8926249 0.93 DGAT1 (0.51) DGAT1KDM4EADORA1ALDH1A1SMN1; SMN2
SCHEMBL8931761 0.91 DGAT1 (0.54) DGAT1KDM4EDRD4DRD2ALDH1A1
SCHEMBL8814492 0.91 DGAT1 (0.48) DGAT1KDM4EDRD4DRD2ALDH1A1
SCHEMBL8815089 0.90 DGAT1 (0.51) DGAT1KDM4EDRD4DRD2ALDH1A1
SCHEMBL8927569 0.90 DGAT1 (0.53) DGAT1KDM4EDRD2ALDH1A1SMN1; SMN2
SCHEMBL8931751 0.89 DGAT1 (0.49) DGAT1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL8931691 0.89 DGAT1 (0.53) DGAT1KDM4EDRD4ALDH1A1SMN1; SMN2
SCHEMBL7878336 0.89 DGAT1 (0.53) DGAT1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL8931121 0.89 DGAT1 (0.53) DGAT1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL8927053 0.88 DGAT1 (0.48) DGAT1KDM4EALDH1A1SMN1; SMN2LMNA

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