SCHEMBL7410220

SCHEMBL7410220

COc1ncc(C(=O)O)c2cc(-c3ccc[nH]c3=O)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.47
PDE4A P27815 7/20 0.41
PDE4B Q07343 7/20 0.41
PDE4C Q08493 7/20 0.41
PDE4D Q08499 7/20 0.41
NAPRT Q6XQN6 1/20 0.38
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
GPR35 Q9HC97 2/20 0.35
PRKAG1 P54619 2/20 0.34
PRKAA1 Q13131 2/20 0.34
PRKAB1 Q9Y478 2/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
ATR Q13535 1/20 0.34
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7015189 0.76 PDE4A (0.64) CYP1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7018571 0.74 PDE4A (0.46) CYP1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7010243 0.70 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL7014097 0.69 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7014220 0.69 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7018885 0.68 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7412815 0.66 MTNR1A (0.42) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6685703 0.66 ALDH1A1 (0.55) NAPRTKDM4EKMT2A
SCHEMBL22094261 0.65 GAA (0.56) KDM4EPOLBGAAKMT2ADHODH
SCHEMBL7011316 0.65 PDE4D (0.64) PDE4APDE4BPDE4CPDE4DDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086106-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE Darwin Discovery Limited (GB) 2001-03-28 EP claimed
WO-1999064423-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LIMITED (GB) 1999-12-16 WO claimed
EP-1086106-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE Darwin Discovery Limited (GB) 2001-03-28 EP disclosed
WO-1999064423-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LIMITED (GB) 1999-12-16 WO disclosed