SCHEMBL8540585

SCHEMBL8540585

Nc1nc2ccc(O)cc2cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAOA P21397 1/20 0.46
ALDH1A1 P00352 4/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
PTGS2 P35354 2/20 0.46
ALOX5 P09917 1/20 0.46
TSHR P16473 1/20 0.46
ESR2 Q92731 3/20 0.42
IDO1 P14902 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL790264 0.83 PRNP (0.53) IKBKBMEN1KMT2AALDH1A1CA1
SCHEMBL790477 0.81 PRNP (0.52) IKBKBMEN1KMT2AALDH1A1CA1
Lithium SCHEMBL790479 0.81 PRNP (0.52) IKBKBMEN1KMT2AALDH1A1CA1
SCHEMBL5195648 0.80 IKBKB (0.74) IKBKBMEN1KMT2AALDH1A1TSHR
SCHEMBL30972572 0.80 IKBKB (0.74) IKBKBMEN1KMT2AALDH1A1TSHR
SCHEMBL1759234 0.76 KDM4C (0.51) IKBKBMEN1KMT2AALDH1A1IDO1
SCHEMBL2808263 0.72 KDM4E (0.42) MEN1KMT2AALDH1A1PTGS2ESR2
SCHEMBL14104471 0.72 CA12 (0.56) MEN1KMT2AMAOAALDH1A1CA12
SCHEMBL29415441 0.72 KDM4E (0.42) MEN1KMT2AALDH1A1PTGS2ESR2
SCHEMBL3044443 0.71 ESR2 (0.54) MEN1KMT2AALDH1A1TSHRESR2

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-0581500-B1 Antibiotic carbapenem compounds ZENECA LTD (GB) 1998-09-09 EP disclosed
US-5441949-A Carbapenem antibiotic compounds ZENECA LIMITED (GB) 1995-08-15 US disclosed
EP-0581500-A1 Antibiotic carbapenem compounds ZENECA LIMITED (GB) 1994-02-02 EP disclosed