SCHEMBL7644186

SCHEMBL7644186

c1csc(-n2ccnc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
CYP2A6 P11509 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
IDO1 P14902 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
ENPP2 Q13822 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
NOTUM Q6P988 1/20 0.41
PDE5A O76074 1/20 0.41
CYP11B2 P19099 4/20 0.41
CYP11B1 P15538 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 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
SCHEMBL27590600 0.98 CYP3A4 (0.47) CYP3A4CYP2A6MEN1KMT2AIDO1
Pyridine SCHEMBL27784037 0.76 CYP3A4 (0.38) CYP3A4CYP2A6MEN1KMT2ATSHR
SCHEMBL28061806 0.74 CYP3A4 (0.50) CYP3A4CYP2A6MEN1KMT2AIDO1
SCHEMBL141173 0.73 POLB (0.41) CYP3A4MEN1KMT2ATSHRLMNA
SCHEMBL27457703 0.72 MEN1 (0.60) CYP3A4CYP2A6MEN1KMT2AIDO1
SCHEMBL27656935 0.72 SMN1; SMN2 (0.40) CYP3A4MEN1KMT2ATSHRLMNA
SCHEMBL8724216 0.71 CYP11B1 (0.42) CYP3A4CYP2A6MEN1KMT2AIDO1
SCHEMBL3787426 0.69 LMNA (0.47) CYP3A4CYP2A6MEN1KMT2AIDO1
SCHEMBL7007434 0.68 MEN1 (0.56) CYP3A4MEN1KMT2AIDO1ALOX15
SCHEMBL8724044 0.68 CYP11B1 (0.39) CYP3A4CYP2A6MEN1KMT2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271290-A Continuous flow preparation method of trithio s-triazine compound 上海沃凯生物技术有限公司 2024-07-02 CN claimed
CN-114799200-A Preparation method of high-dispersibility silver powder 中科铜都粉体新材料股份有限公司 2022-07-29 CN claimed
JP-55105682-A None JP disclosed
CN-118984825-A Novel cooling agent and preparation containing same 西姆莱斯股份公司 2024-11-19 CN disclosed
CN-118271290-A Continuous flow preparation method of trithio s-triazine compound 上海沃凯生物技术有限公司 2024-07-02 CN disclosed
CN-114799200-B Preparation method of high-dispersity silver powder 中科铜都粉体新材料股份有限公司 2023-12-12 CN disclosed
CN-110250261-B Compound preservation method for kiwi fruits 南阳师范学院 2022-10-14 CN disclosed
CN-114799200-A Preparation method of high-dispersibility silver powder 中科铜都粉体新材料股份有限公司 2022-07-29 CN disclosed
CN-110483506-B Novel method for constructing 2- (2-thienyl) imidazole [1,2-a ] pyridine-3-aldehyde by using DMF as formylation reagent 桂林理工大学 2022-04-19 CN disclosed
CN-108912182-B Aluminum and chromium ion multichannel response probe and synthetic method and application thereof 内蒙古工业大学 2020-11-20 CN disclosed
CN-110483506-A Using DMF as formylation reagent construct 2-(2- thienyl) imidazoles [1,2-a] pyridine -3- aldehyde new method UNIV GUILIN TECHNOLOGY 2019-11-22 CN disclosed
US-6235766-B1 HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-22 US disclosed
WO-1998000430-A1 IMIDAZOL DERIVATIVES USEFUL AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-08 WO disclosed
EP-0492178-B1 Naphthoic acid derivative FUJIREBIO KK (JP) 1995-10-04 EP disclosed
US-5324728-A Lipoxygenase inhibiting antiallergens FUJIREBIO INC. (JP) 1994-06-28 US disclosed
EP-0492178-A2 Naphthoic acid derivative FUJIREBIO INC. (JP) 1992-07-01 EP disclosed
US-4810800-A HYPOTENSIVE AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1989-03-07 US disclosed
CN-87103323-A The method for preparing new Dopamine HCL, hydroxylase inhibitors 1988-02-03 CN disclosed
EP-0244803-A2 Novel dopamine beta hydroxylase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1987-11-11 EP disclosed
JP-S55105682-A PRODUCTION OF THIENYLIMIDAZOLES YOSHITOMI PHARMACEUT IND LTD 1980-08-13 JP disclosed