SCHEMBL7020177

SCHEMBL7020177

Cn1c(SCc2ccc(C(=O)c3ccc(F)cc3)cc2)nc2ccc(O)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TP53 P04637 2/20 0.50
THRB P10828 2/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL7014397 0.90 MAPT (0.50) MAPTMEN1KMT2ATP53THRB
SCHEMBL7011327 0.89 MEN1 (0.47) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL7012409 0.88 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7013706 0.86 KMT2A (0.68) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7014022 0.85 MEN1 (0.46) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL7013210 0.82 MEN1 (0.53) MAPTMEN1KMT2ATP53THRB
SCHEMBL7015444 0.80 HDAC3 (0.59) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL7019775 0.80 MEN1 (0.58) MAPTMEN1KMT2ATP53THRB
SCHEMBL7012122 0.79 MAOA (0.54) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL9052713 0.79 SMN1; SMN2 (0.69) MAPTSMN1; SMN2MEN1KMT2ATP53

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-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed