SCHEMBL8171920

SCHEMBL8171920

Cc1csc2nc(N3CCC(C(=O)O)CC3)nc(NCc3ccc(F)cc3)c12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 16/20 0.46
TCF7L2 Q9NQB0 16/20 0.46
ESR1 P03372 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL8179370 0.92 CTNNB1 (0.47) CTNNB1TCF7L2ESR1KDM4EPDE4A
SCHEMBL8178648 0.90 CTNNB1 (0.46) CTNNB1TCF7L2ESR1KDM4EPOLB
SCHEMBL7013793 0.89 CTNNB1 (0.45) CTNNB1TCF7L2ESR1
SCHEMBL8171364 0.87 PDE4A (0.49) CTNNB1TCF7L2ESR1KDM4EPDE4A
SCHEMBL8180936 0.85 KDM4E (0.46) CTNNB1TCF7L2KDM4EPOLBMEN1
SCHEMBL8183548 0.85 PDE4A (0.44) CTNNB1TCF7L2ESR1KDM4EPDE4A
SCHEMBL7011880 0.85 CTNNB1 (0.45) CTNNB1TCF7L2ESR1KDM4E
SCHEMBL8177101 0.85 PDE4A (0.57) CTNNB1TCF7L2ESR1KDM4EMEN1
SCHEMBL8181031 0.85 PDE4A (0.64) CTNNB1TCF7L2ESR1KDM4EPOLB
SCHEMBL8172354 0.84 PDE4A (0.46) CTNNB1TCF7L2KDM4EPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed