SCHEMBL7019092

SCHEMBL7019092

Cc1c(C)n(Cc2ccc(C(=O)c3ccc(Cl)cc3Cl)cc2)c2cnn(C)c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
RAB9A P51151 1/20 0.41
SRD5A2 P31213 1/20 0.40
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPD P32754 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL7020546 0.89 MAPT (0.41) MAPTCNR2MEN1POLBKMT2A
SCHEMBL7015497 0.87 MAPT (0.42) MAPTRAB9ASRD5A2CNR2MEN1
SCHEMBL7015600 0.82 MAPT (0.43) MAPTMEN1POLBKMT2AKDM4E
SCHEMBL7017131 0.80 CYP19A1 (0.44) MAPTRAB9AMEN1KMT2AHDAC1
SCHEMBL7018851 0.79 PPARG (0.41) MAPTRAB9ASRD5A2HDAC1HDAC8
SCHEMBL7017139 0.78 MAPT (0.42) MAPTRAB9ASRD5A2MEN1POLB
SCHEMBL7013283 0.75 HTT (0.40) MAPTMEN1POLBKMT2ATDP1
SCHEMBL7008568 0.70 PKM (0.41) MAPTTDP1TP53SMN1; SMN2HTT
SCHEMBL7018161 0.70 CCR2 (0.39) MAPTRAB9ACNR2MEN1POLB
SCHEMBL7019042 0.69 KAT2B (0.46) MAPTRAB9AMEN1POLBKMT2A

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