SCHEMBL960298

SCHEMBL960298

Clc1cc(Oc2cc(Cl)c(Cl)c(CC#CI)c2Cl)c(Cl)c(CC#CI)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADRA2C P18825 2/20 0.44
TACR2 P21452 2/20 0.44
DRD1 P21728 2/20 0.44
SLC6A2 P23975 2/20 0.44
HTR2C P28335 2/20 0.44
SLC6A4 P31645 2/20 0.44
OPRM1 P35372 2/20 0.44
DRD3 P35462 2/20 0.44
KCNH2 Q12809 2/20 0.44
NR1I2 O75469 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
ADORA1 P30542 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR6 P50406 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GALE Q14376 1/20 0.44
AKR1B1 P15121 1/20 0.38

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
SCHEMBL10715975 0.65 AKR1B1 (0.61) ADRA2AADORA3ADRA2CTACR2DRD1
Haloprogin SCHEMBL8165340 0.62 NR1I2 (1.00) ADRA2AADORA3ADRA2CTACR2DRD1
Haloprogin SCHEMBL30128207 0.62 NR1I2 (1.00) ADRA2AADORA3ADRA2CTACR2DRD1
Haloprogin SCHEMBL3649 0.62 NR1I2 (1.00) ADRA2AADORA3ADRA2CTACR2DRD1
SCHEMBL7115407 0.60 MRGPRX4 (0.40) AKR1B1CYP3A4RECQL
SCHEMBL29629486 0.60 AKR1B1 (0.54) ADRA2AADORA3ADRA2CTACR2DRD1
SCHEMBL22118213 0.60 AKR1B1 (0.54) ADRA2AADORA3ADRA2CTACR2DRD1
SCHEMBL960297 0.58 AKR1B1 (0.37) AKR1B1
SCHEMBL30168074 0.56 AKR1B1 (1.00) ADRA2AADORA3ADRA2CTACR2DRD1
SCHEMBL4575982 0.56 AKR1B1 (1.00) ADRA2AADORA3ADRA2CTACR2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981629-B1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2013-10-16 EP claimed
US-20110009268-A1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2011-01-13 US claimed
WO-2023078794-A1 BIOCIDAL POLYMER BLEND LANXESS DEUTSCHLAND GMBH (DE) 2023-05-11 WO disclosed
EP-4176721-A1 BIOCIDAL POLYMER BLENDS LANXESS Deutschland GmbH (DE) 2023-05-10 EP disclosed
US-20110009268-A1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2011-01-13 US disclosed
US-6143311-A FUNGICIDE; PRESERVATIVE NAGASE & COMPANY, LTD. (JP) 2000-11-07 US disclosed
EP-0987244-A1 IODOPROPARGYL DERIVATIVES AND ANTIMICROBIAL AGENTS CONTAINING THEM AS THE ACTIVE INGREDIENT NAGASE & COMPANY, LTD. (JP) 2000-03-22 EP disclosed
US-4434183-A 3-IODO-2-PROPYNYL 2,4,5-TRICHLOROPHENYL ETHER PENNWALT CORPORATION (US) 1984-02-28 US disclosed
US-4434183-A 3-IODO-2-PROPYNYL 2,4,5-TRICHLOROPHENYL ETHER PENNWALT CORPORATION (US) 1984-02-28 US disclosed