SCHEMBL8927528

SCHEMBL8927528

CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(C(=O)O)CC3)cc2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.64
LMNA P02545 4/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
TP53 P04637 1/20 0.41
AKR1C3 P42330 1/20 0.40
ENPP2 Q13822 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CCR1 P32246 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL8931114 0.92 DGAT1 (0.64) DGAT1LMNAMAPTALDH1A1KDM4E
SCHEMBL8931713 0.92 DGAT1 (0.64) DGAT1LMNAMAPTALDH1A1KDM4E
SCHEMBL9287329 0.90 MAPT (0.64) DGAT1LMNAMAPTALDH1A1KDM4E
SCHEMBL7878336 0.89 DGAT1 (0.53) DGAT1LMNAMAPTALDH1A1KDM4E
SCHEMBL8931115 0.89 DGAT1 (0.63) DGAT1LMNAMAPTALDH1A1KDM4E
SCHEMBL8931655 0.89 DGAT1 (0.60) DGAT1LMNAMAPTALDH1A1KDM4E
SCHEMBL8758342 0.87 DGAT1 (0.61) DGAT1LMNAMAPTALDH1A1KDM4E
SCHEMBL8931747 0.87 DGAT1 (0.58) DGAT1LMNAMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3030510 0.86 DGAT1 (0.57) DGAT1LMNAMAPTALDH1A1KDM4E
SCHEMBL13218950 0.85 DGAT1 (0.59) DGAT1LMNAMAPTALDH1A1KDM4E

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-5637592-A TREATING HELICOBACTER INFECTIONS, SUCH AS GASTRITIS, STOMACH ULCERS, DUODENAL ULCERS AND GASTRIC CANCER JANSSEN PHARMACEUTICA N.V. (BE) 1997-06-10 US disclosed
US-5607932-A Heterocyclic derivatives of azolones JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-04 US disclosed