SCHEMBL8628704

SCHEMBL8628704

CCOCCCOc1ccc2nc(C(=O)O)c(OCc3ccccc3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HSP90AA1 P07900 1/20 0.53
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
P2RY12 Q9H244 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
LMNA P02545 1/20 0.42
NCF1 P14598 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
STAT3 P40763 1/20 0.42
HTT P42858 1/20 0.42
SRD5A2 P31213 2/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 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
SCHEMBL8627840 0.93 KMT2A (0.52) KMT2AMEN1HSP90AA1PDE3BPDE3A
SCHEMBL8629309 0.92 MEN1 (0.53) KMT2AMEN1HSP90AA1PPARGSMN1; SMN2
SCHEMBL8629713 0.90 KMT2A (0.53) KMT2AMEN1HSP90AA1PPARGPPARD
SCHEMBL8630299 0.89 PLA2G2D (0.50) KMT2AMEN1HSP90AA1HDAC8
SCHEMBL6565058 0.85 KMT2A (0.47) KMT2AMEN1HSP90AA1PDE3BPDE3A
SCHEMBL8629057 0.85 MEN1 (0.52) KMT2AMEN1HSP90AA1PPARGPPARD
SCHEMBL7744003 0.84 HDAC8 (0.57) KMT2AMEN1HSP90AA1SMN1; SMN2STAT3
SCHEMBL8628372 0.83 MEN1 (0.52) KMT2AMEN1HSP90AA1PPARGPPARD
SCHEMBL8629707 0.82 MCL1 (0.51) KMT2AMEN1HSP90AA1PDE3BPDE3A
SCHEMBL6564087 0.82 PLA2G2D (0.49) KMT2AMEN1HSP90AA1HDAC8

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-5726305-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-10 US disclosed
US-5719164-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed