SCHEMBL15628319

SCHEMBL15628319

O=C1COCCN1c1ccc(I)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.54
PTGS2 P35354 13/20 0.52
AKR1C3 P42330 1/20 0.45

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
SCHEMBL28834548 1.00 F10 (0.54) F10PTGS2AKR1C3
SCHEMBL76558 0.84 F10 (0.58) F10PTGS2
SCHEMBL28956907 0.82 PTGS2 (0.67) F10PTGS2
SCHEMBL2540317 0.82 F10 (0.54) F10PTGS2
SCHEMBL19086541 0.82 PTGS2 (0.64) F10PTGS2
SCHEMBL18630668 0.82 F10 (0.54) F10PTGS2AKR1C3
SCHEMBL92872 0.82 PTGS2 (0.64) F10PTGS2AKR1C3
SCHEMBL15846877 0.82 F10 (0.54) F10PTGS2
SCHEMBL19456 0.82 PTGS2 (0.64) F10PTGS2AKR1C3
SCHEMBL198132 0.81 PTGS2 (0.57) F10PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104016975-B preparation method of rivaroxaban 深圳翰宇药业股份有限公司 2017-01-11 CN claimed
CN-104016975-A Preparation method of rivaroxaban SHENZHEN HYBIO PHARMACEUTICAL 2014-09-03 CN claimed
EP-3689871-B1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2021-09-29 EP disclosed
EP-3689871-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2020-08-05 EP disclosed
CN-105384739-B Pyrazolo [3,4-c ] pyridine derivatives 石药集团中奇制药技术(石家庄)有限公司 2020-03-20 CN disclosed
CN-105777732-B A kind of synthetic method and its application of Rivaroxaban intermediate 深圳翰宇药业股份有限公司 2019-03-19 CN disclosed
CN-104016975-B preparation method of rivaroxaban 深圳翰宇药业股份有限公司 2017-01-11 CN disclosed
CN-104016975-B preparation method of rivaroxaban 深圳翰宇药业股份有限公司 2017-01-11 CN disclosed
CN-105777732-A Method for synthesizing Rivaroxaban intermediate and application of method 深圳翰宇药业股份有限公司 2016-07-20 CN disclosed
CN-105777732-A Method for synthesizing Rivaroxaban intermediate and application of method 深圳翰宇药业股份有限公司 2016-07-20 CN disclosed
CN-104016975-A Preparation method of rivaroxaban SHENZHEN HYBIO PHARMACEUTICAL 2014-09-03 CN disclosed
CN-104016975-A Preparation method of rivaroxaban SHENZHEN HYBIO PHARMACEUTICAL 2014-09-03 CN disclosed
WO-2014044107-A1 PYRAZOL[3,4-C] PYRIDINE DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF 上海恒瑞医药有限公司 (CN) 2014-03-27 WO disclosed
WO-2014044113-A1 PYRAZOL[3,4-C] PYRIDINE DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF 上海恒瑞医药有限公司 (CN) 2014-03-27 WO disclosed