SCHEMBL7019291

SCHEMBL7019291

Cc1cccc2nc(OCc3ccc(C(=O)c4ccc(F)cc4)cc3)n(C)c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.43
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
MAOB P27338 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
GRM5 P41594 1/20 0.39
NR4A2 P43354 2/20 0.38

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
SCHEMBL7019084 0.91 MAOA (0.46) CASRCTNNB1TCF7L2LMNAMAPT
SCHEMBL7015657 0.81 TP53 (0.52) LMNAMAPTSMN1; SMN2MAOBPOLB
SCHEMBL7017431 0.76 MEN1 (0.52) LMNAMAPTSMN1; SMN2L3MBTL1RAB9A
SCHEMBL7011070 0.76 MEN1 (0.52) LMNAMAPTSMN1; SMN2L3MBTL1RAB9A
SCHEMBL7008944 0.75 CASR (0.45) CASRSMN1; SMN2RAB9A
SCHEMBL7011506 0.75 MEN1 (0.55) MAPTSMN1; SMN2HTTALDH1A1CYP1A2
SCHEMBL7021766 0.75 MEN1 (0.46) SMN1; SMN2L3MBTL1RAB9AHTTALDH1A1
SCHEMBL7015787 0.74 MEN1 (0.51) CASRLMNAMAPTSMN1; SMN2HTT
SCHEMBL7017988 0.73 MEN1 (0.61) LMNATSHRPOLBL3MBTL1RAB9A
SCHEMBL7101327 0.72 MEN1 (0.60) LMNAMAPTSMN1; SMN2HTTALDH1A1

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