SCHEMBL8180936

SCHEMBL8180936

Cc1sc2nc(N3CCC(C(=O)O)CC3)nc(NCc3ccc(F)cc3)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
CTNNB1 P35222 12/20 0.44
TCF7L2 Q9NQB0 12/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 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
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 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
SCHEMBL8171027 0.92 SMN1; SMN2 (0.48) KDM4ECTNNB1TCF7L2GAARXFP1
SCHEMBL8172354 0.91 PDE4A (0.46) KDM4EPOLBCTNNB1TCF7L2MEN1
SCHEMBL8182163 0.90 ALDH1A1 (0.49) KDM4EPOLBCTNNB1TCF7L2MEN1
SCHEMBL7012724 0.89 GAA (0.45) KDM4ECTNNB1TCF7L2GAARXFP1
SCHEMBL8180295 0.87 PDE4A (0.49) KDM4ECTNNB1TCF7L2GAARXFP1
SCHEMBL8171920 0.85 CTNNB1 (0.46) KDM4EPOLBCTNNB1TCF7L2MEN1
SCHEMBL8179618 0.85 PDE4A (0.44) KDM4EGAARXFP1PDE4APDE4B
SCHEMBL7017513 0.85 KDM4E (0.48) KDM4ECTNNB1TCF7L2KMT2AGAA
SCHEMBL8179286 0.85 PDE4A (0.57) KDM4EPOLBMEN1KMT2AL3MBTL1
SCHEMBL8177034 0.85 PDE4A (0.64) KDM4EPOLBCTNNB1TCF7L2MEN1

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