SCHEMBL8135807

SCHEMBL8135807

Cc1nc2cc3c(cc2[nH]1)C(=O)OC3=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.44
KDM4E B2RXH2 5/20 0.44
MAPT P10636 5/20 0.44
POLB P06746 4/20 0.44
ALDH1A1 P00352 5/20 0.43
HSP90AA1 P07900 1/20 0.42
ESR2 Q92731 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
PARP1 P09874 4/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
NPC1 O15118 5/20 0.40
GAA P10253 2/20 0.40
USP2 O75604 1/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TNKS2 Q9H2K2 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
SCHEMBL17702664 0.79 RAB9A (0.47) HPGDKDM4EMAPTPOLBALDH1A1
SCHEMBL7071534 0.77 PIN1 (0.39) MAPTPOLBMEN1KMT2AHSD17B10
SCHEMBL13041691 0.76 ALDH1A1 (0.59) HPGDKDM4EMAPTPOLBALDH1A1
SCHEMBL12213872 0.74 MAPT (0.68) HPGDKDM4EMAPTPOLBALDH1A1
SCHEMBL17286245 0.71 RAB9A (0.50) HPGDKDM4EMAPTPOLBALDH1A1
SCHEMBL9598385 0.70 CA12 (0.51) HPGDKDM4EMAPTPOLBALDH1A1
SCHEMBL1038167 0.70 FABP6 (0.63) HPGDKDM4EMAPTPOLBALDH1A1
SCHEMBL13947194 0.70 ALDH1A1 (0.53) HPGDKDM4EMAPTPOLBALDH1A1
SCHEMBL4388276 0.69 KDM4E (0.59) HPGDKDM4EMAPTPOLBALDH1A1
SCHEMBL30205255 0.69 KDM4E (0.59) HPGDKDM4EMAPTPOLBALDH1A1

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
EP-0720601-B1 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2000-10-25 EP disclosed
US-5919829-A Gastrin and cck receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1999-07-06 US disclosed
US-5795907-A Gastin and CCK receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1998-08-18 US disclosed
EP-0720601-A1 GASTRIN AND CCK RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1996-07-10 EP disclosed
WO-1995004720-A2 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 1995-02-16 WO disclosed