SCHEMBL7214394

SCHEMBL7214394

COC(=O)c1cccc2c(C=O)c(O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.54
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA5A P35218 1/20 0.43
PSMD14 O00487 1/20 0.43
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CFTR P13569 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2949095 0.82 LMNA (0.61) ERN1LMNATSHRKDM4EPIM1
SCHEMBL7828026 0.81 ERN1 (0.51) ERN1KDM4ECA1CA2CA9
SCHEMBL70429 0.80 LMNA (0.59) LMNATSHRKDM4ECA1CA2
SCHEMBL9446371 0.79 ERN1 (0.51) ERN1LMNATSHRKDM4ECA1
SCHEMBL9300933 0.79 LMNA (0.66) LMNATSHRKDM4ECA1CA2
SCHEMBL28984396 0.78 LMNA (0.53) LMNATSHRKDM4EPIM1PIM3
SCHEMBL2748381 0.78 LMNA (0.51) LMNATSHRKDM4ECA1CA2
SCHEMBL3897604 0.78 PIM1 (0.53) ERN1LMNATSHRKDM4EPIM1
SCHEMBL12125211 0.76 TSHR (0.49) LMNATSHRKDM4ECA1CA2
SCHEMBL1162126 0.76 CA1 (0.49) ERN1LMNATSHRKDM4ECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576766-B1 Competitive binding of phosphotyrosine-containing protein; veterinary medicine ARIAD PHARMACEUTICALS, INC. 2003-06-10 US disclosed
EP-1064289-A1 HETEROCYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 2001-01-03 EP disclosed
EP-1030853-A1 NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 2000-08-30 EP disclosed
WO-1999047529-A1 HETEROCYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 1999-09-23 WO disclosed
WO-1999024442-A1 NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 1999-05-20 WO disclosed