SCHEMBL10507494

SCHEMBL10507494

COC(=O)c1c(-c2c(Cl)cc(Br)cc2Cl)n[nH]c1N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 5/20 0.37
ALDH1A1 P00352 3/20 0.37
MAP2K4 P45985 1/20 0.36
ALPL P05186 3/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
PRKCZ Q05513 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
SCHEMBL10508176 0.87 ALPL (0.38) TSHRPOLBRAB9AGAAALDH1A1
SCHEMBL11144994 0.74 MAP2K4 (0.52) POLBRAB9AALDH1A1MAP2K4MAPT
SCHEMBL5787779 0.73 NOTUM (0.43) TSHRPOLBGAAALDH1A1LMNA
SCHEMBL31057270 0.72 GAA (0.45) TSHRRAB9AGAAALDH1A1MAPT
SCHEMBL10923051 0.71 HSP90AA1 (0.41) TSHRPOLBGAAALDH1A1HSP90AA1
SCHEMBL10921229 0.70 HSP90AA1 (0.41) TSHRPOLBGAAALDH1A1MAP2K4
SCHEMBL11154393 0.69 ALPL (0.35) TSHRGAAALDH1A1MAP2K4ALPL
SCHEMBL3699537 0.68 TSHR (0.46) TSHRGAAALDH1A1HSP90AA1HSP90AB1
SCHEMBL612875 0.67 CYP3A4 (0.47) TSHRPOLBGAAALDH1A1MAPT
SCHEMBL29070096 0.66 NOTUM (0.41) TSHRPOLBGAAALDH1A1LMNA

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-0121129-B1 2,5-DIHYDRO-5-ARYLIMINO-PYRROLES, PROCESS FOR THEIR PRODUCTION AND THEIR USES AS HERBICIDES BASF Aktiengesellschaft (DE) 1989-02-01 EP disclosed
US-4726837-A Use of 4H-pyrido[2,3-d][1,3]oxazin-4-one derivatives for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1988-02-23 US disclosed
US-4715889-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-12-29 US disclosed
US-4692187-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
EP-0115808-B1 CYCLOHEXAN-1,3-DIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1986-08-20 EP disclosed
EP-0104389-B1 QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE CONTROL OF UNDESIRED PLANT GROWTH BASF Aktiengesellschaft (DE) 1986-07-16 EP disclosed
US-4585881-A 2,5-dihydro-5-aryliminopyrrole derivatives and their preparation BASF AKTIENGESELLSCHAFT (DE) 1986-04-29 US disclosed
EP-0121129-A1 2,5-Dihydro-5-arylimino-pyrroles, process for their production and their uses as herbicides BASF Aktiengesellschaft (DE) 1984-10-10 EP disclosed
EP-0115808-A1 Cyclohexan-1,3-dione derivatives, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1984-08-15 EP disclosed