SCHEMBL866443

SCHEMBL866443

Cc1cc(-c2cc(C)c(N)c3ccccc23)c2ccccc2c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.43
PKM P14618 1/20 0.43
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
CYP1A1 P04798 1/20 0.40
EP300 Q09472 1/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2A6 P11509 3/20 0.38
ACHE P22303 1/20 0.38
POLB P06746 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL29462977 1.00 CYP1A2 (0.43) CYP1A2PKMBACE1ALDH1A1CYP3A4
SCHEMBL10026540 0.91 CYP1A2 (0.39) CYP1A2PKMBACE1ALDH1A1CYP3A4
SCHEMBL20202780 0.88 PKM (0.40) CYP1A2PKMBACE1ALDH1A1CYP3A4
SCHEMBL1562090 0.85 CYP1A2 (0.50) CYP1A2PKMBACE1ALDH1A1CYP3A4
SCHEMBL29999289 0.85 CYP1A2 (0.50) CYP1A2PKMBACE1ALDH1A1CYP3A4
SCHEMBL29405295 0.83 PKM (0.63) CYP1A2PKMBACE1ALDH1A1CYP3A4
SCHEMBL352532 0.83 PKM (0.63) CYP1A2PKMBACE1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL10719596 0.81 PKM (0.61) CYP1A2PKMBACE1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL5691548 0.81 PKM (0.61) CYP1A2PKMBACE1ALDH1A1CYP3A4
SCHEMBL3267567 0.79 CTSB (0.42) CYP1A2PKMBACE1ALDH1A1CYP3A4

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 233 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3529608-A2 DEVICES AND METHODS FOR DETECTING AN EXPLOSIVE SUBSTANCE Trace Eye-D, LLC (US) 2019-08-28 EP claimed
US-10031120-B2 Devices and methods for detecting an explosive substance TRACE EYE-D, LLC (US) 2018-07-24 US claimed
US-20180113106-A1 DEVICES AND METHODS FOR DETECTING AN EXPLOSIVE SUBSTANCE GEORGE L. SOUTHWORTH REVOCABLE TRUST 2018-04-26 US claimed
EP-2126551-B1 ANALYSIS OF FUNCTIONAL FLUIDS LUBRIZOL CORP (US) 2016-08-10 EP claimed
EP-2374853-A1 Cyanate ester-based pressure sensitive adhesive CORNERSTONE RESEARCH GROUP, INC. (US) 2011-10-12 EP claimed
US-20100268169-A1 AUTOINJECTOR WITH DESHIELDER COMPRISING TAMPER EVIDENCE MEANS BECTON DICKINSON FRANCE S.A.S. (FR) 2010-10-21 US claimed
US-7754488-B2 Rapid analysis of functional fluids THE LUBRIZOL CORPORATION (US) 2010-07-13 US claimed
US-20100137554-A1 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RESEARCH GROUP, INC. 2010-06-03 US claimed
EP-2126551-A1 ANALYSIS OF FUNCTIONAL FLUIDS THE LUBRIZOL CORPORATION (US) 2009-12-02 EP claimed
EP-2118647-A1 ANALYSIS OF FUNCTIONAL FLUIDS USING A REDOX INDICATOR THE LUBRIZOL CORPORATION (US) 2009-11-18 EP claimed
US-20080206874-A1 Analysis of Functional Fluids THE LUBRIZOL CORPORATION (US) 2008-08-28 US claimed
US-20080206879-A1 Analysis of Functional Fluids Using a Redox Indicator THE LUBRIZOL CORPORATION (US) 2008-08-28 US claimed
WO-2008051241-A2 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2008-05-02 WO claimed
EP-1875227-A1 RAPID ANALYSIS OF FUNCTIONAL FLUIDS The Lubrizol Corporation (US) 2008-01-09 EP claimed
WO-2006112827-A1 RAPID ANALYSIS OF FUNCTIONAL FLUIDS THE LUBRIZOL CORPORATION (US) 2006-10-26 WO claimed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
US-20050227369-A1 Rapid analysis of functional fluids THE LUBRIZOL CORPORATION, A CORPORATION OF THE STATE OF OHIO (US) 2005-10-13 US claimed
US-20020132133-A1 ELECTROLUMINESCENT DEVICE HAVING AN ORGANIC LAYER INCLUDING POLYIMIDE DONGJIN SEMICHEM CO., LTD. (KR) 2002-09-19 US claimed
US-20020098378-A1 Electroluminescent device having an organic layer including polyimide NESS CO., LTD. 2002-07-25 US claimed