SCHEMBL7016172

SCHEMBL7016172

Cn1ncc2c(ccn2Cc2cccc(C(=O)c3ccc(Cl)cc3)c2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
MAPT P10636 3/20 0.43
CYP19A1 P11511 6/20 0.41
POLB P06746 3/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IDO1 P14902 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HDAC10 Q969S8 1/20 0.38
FSCN1 Q16658 2/20 0.37
KDM4E B2RXH2 1/20 0.37
P2RX3 P56373 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
SCHEMBL7012844 0.91 HDAC1 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7017139 0.82 MAPT (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7016067 0.81 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7018161 0.79 CCR2 (0.39) MAPTCYP19A1POLBTDP1L3MBTL1
SCHEMBL7012328 0.78 ALDH1A1 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7010653 0.74 PKM (0.45) MAPTPOLBTP53TDP1LMNA
SCHEMBL7016038 0.73 SMN1; SMN2 (0.43) MAPTPOLBTDP1L3MBTL1LMNA
SCHEMBL7019117 0.72 LMNA (0.43) LMNASMN1; SMN2
SCHEMBL7014669 0.71 HDAC1 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7015342 0.71 MAPT (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6

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