SCHEMBL7007968

SCHEMBL7007968

CC(C)(C)n1ncc2nn(Cc3cccc(C(=O)c4ccc(Cl)cc4)c3)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
TSHR P16473 5/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PDE1C Q14123 3/20 0.38
MEN1 O00255 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 2/20 0.37
CYP19A1 P11511 2/20 0.37
MAPK1 P28482 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL7018272 0.91 SMN1; SMN2 (0.44) TDP1KDM4ESMN1; SMN2TSHRKMT2A
SCHEMBL7015953 0.82 SMN1; SMN2 (0.41) SMN1; SMN2TSHRKMT2ANPC1RAB9A
SCHEMBL7016038 0.81 SMN1; SMN2 (0.43) TDP1POLBL3MBTL1SMN1; SMN2TSHR
SCHEMBL7012224 0.78 HTT (0.43) TDP1KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL9238687 0.74 NPC1 (0.57) KDM4ESMN1; SMN2TSHRKMT2ANPC1
SCHEMBL9240302 0.74 SMN1; SMN2 (0.47) SMN1; SMN2TSHRKMT2ANPC1RAB9A
SCHEMBL7012894 0.71 SMN1; SMN2 (0.48) TDP1POLBSMN1; SMN2TSHRKMT2A
SCHEMBL7016172 0.67 HDAC3 (0.44) TDP1POLBL3MBTL1KDM4ESMN1; SMN2
SCHEMBL7010994 0.67 ALDH1A1 (0.41) TDP1SMN1; SMN2TSHRKMT2ANPC1
SCHEMBL9240139 0.65 KMT2A (0.70) POLBKDM4ESMN1; SMN2TSHRKMT2A

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