SCHEMBL9834976

SCHEMBL9834976

CCn1ncc2c(Cl)c(C(=O)c3ccccc3C)cnc21

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.67
PDE4B Q07343 8/20 0.56
PGR P06401 1/20 0.56
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
PDE5A O76074 1/20 0.43

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
SCHEMBL9835965 0.85 NR3C1 (0.60) NR3C1PDE4BPGRPDE5A
SCHEMBL9836690 0.85 NR3C1 (0.55) NR3C1PDE4BPGRPDE5A
SCHEMBL9834161 0.82 PDE4B (0.60) NR3C1PDE4BPGRMEN1MAPT
SCHEMBL9835287 0.81 NR3C1 (0.67) NR3C1PDE4BPGR
SCHEMBL9835196 0.81 NR3C1 (0.67) NR3C1PDE4BPGRHPGDPDE5A
SCHEMBL9835005 0.79 NR3C1 (0.61) NR3C1PDE4BPGRMEN1MAPT
SCHEMBL3282653 0.79 NR3C1 (0.61) NR3C1PDE4BPGRMEN1MAPT
SCHEMBL582299 0.79 NR3C1 (0.61) NR3C1PDE4BPGRMEN1MAPT
SCHEMBL9833982 0.79 NR3C1 (0.57) NR3C1PDE4BPGRPDE5A
SCHEMBL9836172 0.79 NR3C1 (0.55) NR3C1PDE4BPGRPDE5A

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-0230016-B1 6H-Isoxazolo[3,4-d]pyrazolo[3,4-b]pyridines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-09-11 EP disclosed
EP-0161218-B1 BENZO-(PYRANO AND THIOPYRANO)PYRIDINES CIBA-GEIGY AG (CH) 1991-06-26 EP disclosed
US-4624955-A 6H-isoxazolo[3,4-d]pyrazolo[3,4-b]pyridines, method for their preparation and use as anxiolytic agents HOECHST-ROUSSEL PHARMACEUTICALS (US) 1986-11-25 US disclosed