SCHEMBL2113995

SCHEMBL2113995

Clc1ccccc1-c1[c]cccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
DPP4 P27487 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HSD11B1 P28845 1/20 0.36
IDO1 P14902 1/20 0.35
NOTUM Q6P988 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTPRC P08575 1/20 0.34
LDHA P00338 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL4007973 0.85 NOTUM (0.38) CYP2A6LMNATSHRIDO1NOTUM
SCHEMBL2761711 0.83 MEN1 (0.32) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL322239 0.80 MEN1 (0.35) LMNATSHRNPC1RAB9ASMN1; SMN2
SCHEMBL8855149 0.80 MEN1 (0.35) LMNATSHRNPC1RAB9ASMN1; SMN2
SCHEMBL434491 0.79 AHR (0.42) TSHRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL9856911 0.79 PTPN1 (0.40) CYP2A6TSHRTP53HPGDALDH1A1
SCHEMBL10499717 0.78 ALDH1A1 (0.37) CYP2A6ALDH1A1KMT2AMEN1TDP1
SCHEMBL5199637 0.77 TSHR (0.39) CYP2A6LMNATSHRALDH1A1KMT2A
SCHEMBL6682355 0.77 CYP2A6 (0.40) CYP2A6LMNATSHRNPC1RAB9A
SCHEMBL21879764 0.77 PTPRC (0.35) CYP2A6SMN1; SMN2PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798291-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2002-09-11 EP claimed
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US claimed
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP claimed
EP-0414299-B1 Biocidal azoxime compounds SHELL INT RESEARCH (NL) 1994-06-15 EP claimed
EP-0033088-B1 ANTIMYCOTIC AGENTS BAYER AG (DE) 1983-05-25 EP claimed
EP-0033088-A2 Antimycotic agents BAYER AG (DE) 1981-08-05 EP claimed
WO-2024039730-A1 ENERGY INTEGRATED WATER PURIFICATION AND RECOVERY SYSTEM AND METHOD FOR USING SAME Aizaco Limited Company (US) 2024-02-22 WO disclosed
US-20240059585-A1 ENERGY INTEGRATED WATER PURIFICATION AND RECOVERY SYSTEM AND METHOD FOR USING SAME Aizaco Limited Company 2024-02-22 US disclosed
CN-115677786-A Metal complex, organic electroluminescent element and consumer product 北京八亿时空液晶科技股份有限公司 2023-02-03 CN disclosed
CN-108699086-B Metal complexes UEA企业有限公司 2021-08-20 CN disclosed
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
EP-1454931-B1 PROPYLENE BLOCK COPOLYMER JAPAN POLYPROPYLENE CORP (JP) 2018-01-24 EP disclosed
EP-3242875-A1 4,5-DIHYDROIMIDAZOLE DERIVATIVES AND THEIR USE AS HISTONE DEMETHYLASE (KDM2B) INHIBITORS Genentech, Inc. (US) 2017-11-15 EP disclosed
EP-0015387-A2 1-Vinyltriazole derivatives, process for their preparation and their use as growth regulating agents and fungicides BAYER AG (DE) 1980-09-17 EP disclosed
EP-0007506-A1 Derivatives of alpha-azolyl ketones, processes for their preparation and their use as fungicides BAYER AG (DE) 1980-02-06 EP disclosed
EP-0007505-A2 Alpha-azolyl-beta-hydroxy-ketones, process for their preparation and their use as fungicides BAYER AG (DE) 1980-02-06 EP disclosed
US-4152341-A ANTIINFLAMMATORY IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-05-01 US disclosed
US-4148658-A BENZOYLMETHYLENE-BENSOTHIAZOLYIDEND-THIAZOLIDONE COMPOUND, AMINE, AND AMINOARYLCARBONYL COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1979-04-10 US disclosed
US-4052552-A THROMBOXANE B ANALOGS THE UPJOHN COMPANY (US) 1977-10-04 US disclosed
US-3966697-A CATALYST OF COBALT COMPOUND, ORGANOALUMINUM HALIDE, PHOSPHITE, H-ACIDIC COMPOUND CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DT) 1976-06-29 US disclosed