SCHEMBL3279905

SCHEMBL3279905

On1nnc2cc(Cc3ccccc3-n3ccnc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.46
IDO1 P14902 2/20 0.41
TCF7L2 Q9NQB0 1/20 0.40
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
CYP3A4 P08684 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PMP22 Q01453 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.36
HTR5A P47898 1/20 0.34

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
SCHEMBL3279244 0.91 IDO1 (0.41) CTNNB1IDO1MAPK1POLBATM
SCHEMBL9868540 0.82 TSHR (0.38) IDO1MAPK1POLBCYP3A4CYP1A2
SCHEMBL9526934 0.82 FGFR1 (0.35) IDO1MAPK1CYP3A4CYP1A2CYP2D6
Nitric Acid SCHEMBL9527186 0.81 NSD2 (0.39) IDO1POLBMEN1KMT2AALDH1A1
SCHEMBL9869542 0.81 SLC9A1 (0.47) IDO1POLBHTR5AFGFR1
SCHEMBL9524640 0.80 SLC9A1 (0.38) IDO1MAPK1CYP3A4CYP1A2CYP2D6
SCHEMBL9196161 0.78 IDO1 (0.43) IDO1MAPK1CYP3A4CYP1A2CYP2D6
SCHEMBL7463718 0.78 NPC1 (0.44) IDO1MAPK1POLBCYP3A4CYP1A2
SCHEMBL9078567 0.76 FGFR1 (0.41) IDO1MAPK1CYP3A4CYP1A2CYP2D6
SCHEMBL9664168 0.76 HTR5A (0.41) IDO1MAPK1POLBCYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 US disclosed
US-20070129520-A1 High yield of 2-formylethyldimethylsilanol-modified polydimethylsiloxane obtained by the continuous process of oxidizing 3-hydroxypropyldimethylsilanol-modified corresponding polymer using Tempoas an oxidation catalyst and air or oxygen as oxidizer in an aqueous dispersion; industrial scale; low cost WACKER CHEMIE AG (DE) 2007-06-07 US disclosed
US-6297403-B1 OXIDATION OF A (DI)ARYL METHANE OR METHYLENE DERIVATIVE IN PRESENCE OF AN AMINE OXIDE OR HYDROXYAMINE DERIVATIVE MEDIATOR; BY-PRODUCT INHIBITION Consortium für elektrochemische Industrie GmbH (DE) 2001-10-02 US disclosed
US-6187170-B1 SYSTEM FOR THE ELECTROCHEMICAL CLEAVAGE OF COMPOUNDS WHICH INCLUDES A MEDIATOR AND AT LEAST TWO ELECTRODES FOR THE ELECTROCHEMICAL ACTIVATION OF THE MEDIATOR Consortium für elektrochemische Industrie GmbH (DE) 2001-02-13 US disclosed
US-6169213-B1 REACTING A HETEROARYL METHANOL WITH AN OXIDANT AND A MEDIATOR CONTAINING AMINO OXIDE GROUP TO FORM HETEROARYL ALDEHYDE OR A HETEROARYL KETONE Consortium f{umlaut over (u)}r elektrochemische Industrie GmbH (DE) 2001-01-02 US disclosed
US-6069282-A REACTION OF VINYL-, ALKYNYL- OR ARYL-METHANOLS WITH THE AID OF A MEDIATOR AND AN OXIDANT, WHEREIN THE MEDIATOR IS SELECTED FROM THE GROUP OF THE ALIPHATIC, CYCLOALIPHATIC, HETEROCYCLIC OR AROMATIC NO OR NOH CONTAINING COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-05-30 US disclosed
US-6023000-A Process for the preparation of aldehydes and ketones Consortium fur elektrochemisch Industrie GmbH (DE) 2000-02-08 US disclosed