SCHEMBL7020546

SCHEMBL7020546

Cc1c(C)n(Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c2cnn(C)c(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 2/20 0.40
CNR2 P34972 2/20 0.39
POLB P06746 3/20 0.39
PPARG P37231 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NCOR2 Q9Y618 1/20 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
SCHEMBL7015600 0.90 MAPT (0.43) MAPTLMNAMEN1KMT2ATP53
SCHEMBL7019092 0.89 MAPT (0.41) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL7017131 0.88 CYP19A1 (0.44) MAPTMEN1KMT2ATP53HDAC3
SCHEMBL7018851 0.87 PPARG (0.41) MAPTLMNAHTTPPARGALDH1A1
SCHEMBL7013283 0.85 HTT (0.40) MAPTLMNASMN1; SMN2HTTMEN1
SCHEMBL7008568 0.80 PKM (0.41) MAPTLMNASMN1; SMN2HTTTP53
SCHEMBL7012004 0.78 LMNA (0.40) MAPTLMNASMN1; SMN2HTTKMT2A
SCHEMBL7018161 0.77 CCR2 (0.39) MAPTLMNASMN1; SMN2HTTMEN1
SCHEMBL7019042 0.77 KAT2B (0.46) MAPTLMNASMN1; SMN2HTTMEN1
SCHEMBL7010653 0.76 PKM (0.45) MAPTLMNASMN1; SMN2HTTTP53

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 2 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
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed