SCHEMBL175249

SCHEMBL175249

O=C(c1nccs1)c1nccs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
PLA2G7 Q13093 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
PLA2G4A P47712 1/20 0.43
CES1 P23141 1/20 0.42
TSHR P16473 1/20 0.42
NOS1 P29475 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RBBP9 O75884 4/20 0.41
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
HSPA9 P38646 1/20 0.40
FDPS P14324 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 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
Hydrochloric Acid SCHEMBL27980177 0.97 ALDH1A1 (0.64) ALDH1A1PLA2G7ADORA2AADORA1PLA2G4A
Trifluoroacetic Acid SCHEMBL27990749 0.85 ADORA2A (0.52) ALDH1A1PLA2G7ADORA2AADORA1PLA2G4A
SCHEMBL28027939 0.84 ALDH1A1 (0.67) ALDH1A1PLA2G7ADORA2AADORA1PLA2G4A
SCHEMBL2170448 0.82
SCHEMBL121301 0.82
SCHEMBL2008703 0.81 PLA2G7 (0.57) ALDH1A1PLA2G7ADORA2AADORA1PLA2G4A
SCHEMBL149729 0.80
SCHEMBL555458 0.80
SCHEMBL16716388 0.80
SCHEMBL825807 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114524829-B Preparation method of imidazo [2,1-b ] thiazole derivative 新疆大学 2024-04-02 CN claimed
CN-110024660-A A kind of method and vernalization soil making vernalization soil using sawdust as raw material 雷军 2019-07-19 CN claimed
CN-109761976-A The condensed Azadecalin glucocorticoid receptor modulators of octahydro 科赛普特治疗公司 2019-05-17 CN claimed
CN-106029066-B Octahydro fused azadecalin glucocorticoid receptor modulators 科赛普特治疗公司 2019-03-15 CN claimed
CN-104619328-B The condensed quinoline alkane glucocorticoid receptor modulator of heteroaryl -one 科赛普特治疗学股份有限公司 2018-10-02 CN claimed
CN-104961707-B Substituted thiazole ketone secretory protease inhibitors and preparation method thereof 中国人民解放军第二军医大学 2017-07-28 CN claimed
CN-105214614-B Linear thiazole ketone coadsorbent and preparation method thereof 陕西理工学院 2017-05-10 CN claimed
CN-106518848-A Novel chromene diarylurea compounds, and preparation method and application thereof 中国人民解放军军事医学科学院毒物药物研究所 2017-03-22 CN claimed
CN-106518767-A Substituted benzopyrazole diarylurea compound, preparation method and medical application thereof 中国人民解放军军事医学科学院毒物药物研究所 2017-03-22 CN claimed
CN-106518766-A Novel diaryl urea compounds, and preparation method and medical applications thereof 中国人民解放军军事医学科学院毒物药物研究所 2017-03-22 CN claimed
CN-1543455-B 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same SANKYO AGRO CO LTD 2012-07-11 CN claimed
CN-102015719-A Pyrrolotriazine kinase inhibitors BRISTOL MYERS SQUIBB CO 2011-04-13 CN claimed
CN-101802610-A A high throughput test method for evaluation of biocides against anaerobic microorganisms DOW GLOBAL TECHNOLOGIES INC 2010-08-11 CN claimed
CN-101723941-A “1,2,4” oxadiazole as a metabotropic glutamate receptor-5 modulator ASTRAZENECA AB 2010-06-09 CN claimed
CN-101687790-A Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBOTT GMBH & CO KG 2010-03-31 CN claimed
CN-1894241-A \"1, 2, 4\" oxadiazoles as modulators of metabotropic glutamate receptor-5 ASTRAZENECA AB (SE) 2007-01-10 CN claimed
CN-1051546-C Novel 1,1-bis (heteroazolyl) alkane derivatives and their use as neuroprotective agents ASTRA AB (SE) 2000-04-19 CN claimed
CN-1150426-A Novel 1,1-bis (heteroazolyl) alkane derivatives and their use as neuroprotective agents ASTRA AB (SE) 1997-05-21 CN claimed
EP-0765325-A1 NOVEL 1,1-BIS(HETEROAZOLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS Astra Aktiebolag (SE) 1997-04-02 EP claimed
WO-1995033747-A1 NOVEL 1,1-BIS(HETEROAZOLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS ASTRA AKTIEBOLAG (SE) 1995-12-14 WO claimed