SCHEMBL7778455

SCHEMBL7778455

Cc1cc(Br)cc(C)c1O[Si](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
POLB P06746 1/20 0.33
PKM P14618 1/20 0.32
HTR1D P28221 2/20 0.31
HTR1B P28222 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1716656 0.80 CA12 (0.33) NQO2MEN1KMT2AKDM4EALDH1A1
SCHEMBL16433700 0.76
SCHEMBL9638274 0.76
SCHEMBL282381 0.76 MEN1 (0.35) NQO2MEN1KMT2AKDM4EALDH1A1
SCHEMBL363341 0.72 KDM4E (0.45) NQO2MEN1KMT2AKDM4EALDH1A1
SCHEMBL1826724 0.71 PTGDR2 (0.33) KDM4EALDH1A1CYP1A2
SCHEMBL9638282 0.71
SCHEMBL666215 0.71 TP53 (0.33)
Hydrochloric Acid SCHEMBL28586799 0.70 KDM4E (0.44) NQO2MEN1KMT2AKDM4EALDH1A1
SCHEMBL4735982 0.70 KDM4E (0.44) NQO2MEN1KMT2AKDM4EALDH1A1

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-0728140-B1 NEW STEROIDS WITH RADICAL-ATTRACTING AROMATIC SUBSTITUENTS, PROCESS FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOUNDS CONTAINING THE SAID SUBSTANCES JENAPHARM GMBH (DE) 2001-09-19 EP disclosed
US-5977096-A Steroids with radical-attracting aromatic substituents, process for the production thereof and pharmaceutical compounds containing the said substances JENAPHARM GMBH & CO. KG (DE) 1999-11-02 US disclosed
US-5914325-A ESTRANE AND ANDROSTANE DERIVATIVES WITH A SUBSTITUTED AROMATIC SUBSTITUENT AT THE 17 POSITION; ANTITUMOR AGENTS, TREATING CARDIAC AND CIRCULATORY DISORDERS JENAPHARM GMBH (DE) 1999-06-22 US disclosed
EP-0728140-A1 NEW STEROIDS WITH RADICAL-ATTRACTING AROMATIC SUBSTITUENTS, PROCESS FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOUNDS CONTAINING THE SAID SUBSTANCES Jenapharm GmbH & Co. KG (DE) 1996-08-28 EP disclosed
WO-1995013287-A1 NEW STEROIDS WITH RADICAL-ATTRACTING AROMATIC SUBSTITUENTS, PROCESS FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOUNDS CONTAINING THE SAID SUBSTANCES JENAPHARM GMBH (DE) 1995-05-18 WO disclosed