SCHEMBL7464351

SCHEMBL7464351

COc1ccc2c(c1)-c1nc3ccccc3c(Cl)c1C2=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.51
TP53 P04637 1/20 0.49
NTRK1 P04629 3/20 0.46
GUSB P08236 1/20 0.46
KDM4E B2RXH2 2/20 0.45
USP8 P40818 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDE4B Q07343 2/20 0.45
PDE4D Q08499 2/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
ELANE P08246 1/20 0.43
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
RXRA P19793 1/20 0.42

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
SCHEMBL7464693 0.95 ACHE (0.51) ACHETP53NTRK1GUSBKDM4E
SCHEMBL7458826 0.86 TP53 (0.60) ACHETP53KDM4EL3MBTL1PDE4B
SCHEMBL7464639 0.86 TP53 (0.60) ACHETP53KDM4EL3MBTL1PDE4B
SCHEMBL7811355 0.81 NTRK1 (0.50) ACHETP53NTRK1GUSBKDM4E
SCHEMBL3736581 0.79 NTRK1 (0.51) ACHENTRK1GUSBKDM4EL3MBTL1
SCHEMBL7822017 0.79 NTRK1 (0.51) ACHENTRK1GUSBKDM4EL3MBTL1
SCHEMBL7460475 0.76 ALDH1A1 (0.51) ACHETP53GUSBKDM4EADORA2A
SCHEMBL7456185 0.74 TP53 (0.44) ACHETP53NTRK1GUSBUSP8
Hydrochloric Acid SCHEMBL7461388 0.74 TP53 (0.43) ACHETP53NTRK1GUSBUSP8
SCHEMBL3733796 0.73 GUSB (0.52) ACHENTRK1GUSBKDM4EL3MBTL1

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-0785191-B1 FUSED INDAN DERIVATIVES AND SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2002-10-23 EP disclosed
US-5763453-A ANTITUMOR AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0785191-A1 FUSED INDAN DERIVATIVES AND SALTS THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed