SCHEMBL2011661

SCHEMBL2011661

Nc1cccc(OCBr)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.64
TP53 P04637 2/20 0.64
MAOB P27338 2/20 0.58
TSHR P16473 2/20 0.55
ALDH1A1 P00352 4/20 0.54
APP P05067 1/20 0.53
CASP1 P29466 1/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.46
LTA4H P09960 1/20 0.41
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
NLRP1 Q9C000 1/20 0.39

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
SCHEMBL1770370 0.84 TP53 (0.50) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL1491464 0.83 TSHR (0.61) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL29502076 0.82 CYP3A4 (0.69) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL30451644 0.82 CYP3A4 (0.69) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL3791936 0.82 CYP3A4 (0.69) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL7747989 0.82 CYP3A4 (0.69) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL8254027 0.82 TSHR (0.64) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL8771433 0.80 CYP3A4 (0.67) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL6756802 0.80 TSHR (0.72) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL29437009 0.80 TSHR (0.79) CYP3A4TP53MAOBTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105330584-A Method for preparing 4-methoxyindoline CHANGZHOU INST ENG TECH 2016-02-17 CN claimed
CN-103958500-B Kinases inhibitor ORION CORP. (FI) 2016-04-27 CN disclosed
CN-105518005-A Tricyclic pyridine-carboxamide derivatives as ROCK inhibitors BRISTOL MYERS SQUIBB CO 2016-04-20 CN disclosed
CN-105517993-A Aryl amide kinase inhibitors BRISTOL MYERS SQUIBB CO 2016-04-20 CN disclosed
CN-103492377-B As the triazolopyridine compounds of PIM kinase inhibitor ARRAY BIOPHARMA INC. (US) 2016-04-20 CN disclosed
CN-103827090-B Substituted quinolines and their use as pharmaceuticals BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-20 CN disclosed
CN-105492444-A Tricyclic pyridine-carboxamide derivatives as ROCK inhibitors BRISTOL MYERS SQUIBB CO 2016-04-13 CN disclosed
CN-103189373-B The Triazolopyridine replaced BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-06 CN disclosed
CN-101501061-B As the macrocylc compound of antiviral MSD ITALIA S.R.L. (IT) 2016-03-09 CN disclosed
CN-105367583-A THIENO[2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH 2016-03-02 CN disclosed
CN-103827090-A Substituted quinolines and their use as pharmaceuticals BOEHRINGER INGELHEIM INT 2014-05-28 CN disclosed
CN-103649097-A Novel cephalosporins used as antibacterial agents ZOETIS LLC 2014-03-19 CN disclosed
CN-103626749-A Substituted oxazolidinone compound, and pharmaceutical composition containing compound and application thereof SUZHOU ZELGEN BIOPHARMACEUTICALS CO LTD 2014-03-12 CN disclosed
CN-103547570-A Picolinamido-propanoic acid derivatives useful as glucagon receptor antagonists JANSSEN PHARMACEUTICA NV 2014-01-29 CN disclosed
CN-103492377-A Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC 2014-01-01 CN disclosed
CN-103209960-A Sulfonamide compounds useful as CYP17 inhibitors BRISTOL MYERS SQUIBB CO 2013-07-17 CN disclosed
CN-103189373-A Substituted triazolopyridines BAYER IP GMBH 2013-07-03 CN disclosed
CN-102985422-A Pyrrolopyridine and pyrrolopyrimidine inhibitors of kinases ABBVIE INC 2013-03-20 CN disclosed
EP-2509954-A1 4 -OXO- 1H -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2012-10-17 EP disclosed
WO-2011072241-A1 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-16 WO disclosed