SCHEMBL7822017

SCHEMBL7822017

COc1ccc2c(c1)C(=O)c1c(Cl)nc3ccccc3c1-2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.51
ACHE P22303 4/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
GUSB P08236 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPN1 P18031 1/20 0.45
RXRA P19793 1/20 0.45
ELANE P08246 1/20 0.43
PDE4B Q07343 2/20 0.43
PDE4D Q08499 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3736581 0.95 NTRK1 (0.51) NTRK1ACHEKDM4EPOLBGUSB
SCHEMBL7811355 0.95 NTRK1 (0.50) NTRK1ACHEKDM4EPOLBGUSB
SCHEMBL7820788 0.90 USP8 (0.42) NTRK1ACHEKDM4EKMT2AL3MBTL1
SCHEMBL7825423 0.86 TP53 (0.51) KDM4EPOLBMEN1KMT2AELANE
SCHEMBL7820175 0.86 TP53 (0.51) ACHEKDM4EPOLBMEN1KMT2A
SCHEMBL3733796 0.82 GUSB (0.52) NTRK1ACHEKDM4EPOLBGUSB
SCHEMBL3738396 0.82 ALOX15 (0.43) KDM4EPOLBGUSBMEN1KMT2A
SCHEMBL7464693 0.81 ACHE (0.51) NTRK1ACHEKDM4EPOLBGUSB
SCHEMBL12781496 0.80 PABPC1 (0.47) NTRK1GUSBMEN1KMT2AALDH1A1
SCHEMBL3746316 0.79 AMY1A (0.41) NTRK1KDM4EKMT2AL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713870-B1 NOVEL FUSED INDAN DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2001-07-18 EP disclosed
US-6028079-A FOR TREATING TUMOR OF MAMMAL TAIHO PHARMACEUTICAL CO., LTD (JP) 2000-02-22 US disclosed
US-5733918-A ANTITUMOR AGENT TAIHO PHARMACEUTICAL CO., LTD. (JP) 1998-03-31 US disclosed
US-5710162-A ANTITUMOR AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0713870-A1 NOVEL FUSED INDAN DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-29 EP disclosed