SCHEMBL177940

SCHEMBL177940

O=C(Cl)c1cc(Cl)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4C Q9H3R0 2/20 0.51
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
GRM5 P41594 2/20 0.42
GRM4 Q14833 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KMO O15229 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
KDM4E B2RXH2 2/20 0.41
KDM6B O15054 1/20 0.41
TET3 O43151 1/20 0.41
KDM4A O75164 1/20 0.41
BBOX1 O75936 1/20 0.41
KDM5A P29375 1/20 0.41

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
SCHEMBL31607215 1.00 ALDH1A1 (0.56) ALDH1A1MAPTL3MBTL1KDM4CNPC1
Hydrochloric Acid SCHEMBL177643 0.98 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1KDM4CNPC1
Hydrochloric Acid SCHEMBL29649805 0.98 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1KDM4CNPC1
SCHEMBL27715023 0.84 ALDH1A1 (0.58) ALDH1A1MAPTL3MBTL1KDM4CNPC1
SCHEMBL27513588 0.83 GRM4 (0.49) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL9772809 0.83 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1KDM4CNPC1
SCHEMBL31151693 0.83 ALDH1A1 (0.61) ALDH1A1MAPTL3MBTL1KDM4CNPC1
SCHEMBL202448 0.83 ALDH1A1 (0.61) ALDH1A1MAPTL3MBTL1KDM4CNPC1
Hydrochloric Acid SCHEMBL1682029 0.81 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1KDM4CNPC1
SCHEMBL899382 0.81 MAPT (0.59) ALDH1A1MAPTL3MBTL1KDM4CNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114656401-A Method for preparing 4-chloropyridine-2-methyl formate serving as sorafenib key intermediate and suitable for industrial production 江苏恒沛药物科技有限公司 2022-06-24 CN claimed
CN-105330600-B A kind of preparation method of Rui Gefeini 山东罗欣药业集团股份有限公司 2018-05-22 CN claimed
CN-105566215-B A kind of Rui Gefeini preparation method 沈阳药科大学 2018-02-16 CN claimed
CN-106543077-A N, N ' disubstituted arylthiourea derivative and its synthetic method and application 西安交通大学 2017-03-29 CN claimed
CN-104045598-B Thiourea compounds containing arylamine structure, and preparation method and application thereof 烟台大学 2017-02-15 CN claimed
CN-105566215-A Preparation method of Stivarga UNIV SHENYANG PHARMACEUTICAL 2016-05-11 CN claimed
CN-105330600-A Preparation method for Regorafenib hydrate SHANDONG LUOXIN PHARMACEUTICAL GROUP CO LTD 2016-02-17 CN claimed
CN-104045598-A Thiourea compounds containing arylamine structure, and preparation method and application thereof UNIV YANTAI 2014-09-17 CN claimed
CN-103319402-A Diphenyl thiourea derivatives, preparation method and applications thereof QILU PHARMACEUTICAL CO LTD 2013-09-25 CN claimed
CN-102993093-A N,N'-2-substitubted-diphenylthiourea compound, as well as preparation method and applications thereof UNIV YANTAI 2013-03-27 CN claimed
EP-2562159-A1 PREPARATION METHOD OF FLUORO-SUBSTITUTED DEUTERATED DIPHENYLUREA Suzhou Zelgen Biopharmaceutical Co., Ltd. (CN) 2013-02-27 EP claimed
CN-101830847-B Anticancer compound and preparation method thereof NAN ZHANG 2012-10-10 CN claimed
CN-102653522-A Omega-carboxy-substituted diphenylthiourea compounds, and preparation method and application thereof UNIV YANTAI 2012-09-05 CN claimed
CN-102617458-A Preparation method for anticancer compound NAN ZHANG 2012-08-01 CN claimed
CN-101830847-A Anticancer compound and preparation method thereof SUZHOU MAIDIXIAN MEDICINE SCIENCE & TECHNOLOGY CO LTD 2010-09-15 CN claimed
CN-101230037-A Anticancer medicine compound and its synthesis method NAN ZHANG (CN) 2008-07-30 CN claimed
WO-2025091127-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2025-05-08 WO disclosed
CN-114213310-B Indoline compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2024-02-23 CN disclosed
US-3944524-A ORAL HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1976-03-16 US disclosed
US-3933830-A FROM 4-(2-PYRIDYLAMIDOETHYL) PYRIDINES REDUCED WITH HYDROGEN AND A NOBLE METAL CATALYST PFIZER INC. (US) 1976-01-20 US disclosed