SCHEMBL9687059

SCHEMBL9687059

Brc1ccc(Oc2ccc[c]n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
LTA4H P09960 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MCL1 Q07820 2/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32
HPGD P15428 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL1451793 0.82 LTA4H (0.44) MAPTALDH1A1TSHRLTA4HHPGD
SCHEMBL6544233 0.81 MEN1 (0.46) ALDH1A1LTA4HSLC6A2SLC6A3F2
SCHEMBL9685498 0.81 MEN1 (0.52) MAPTALDH1A1TSHRHPGDKMT2A
SCHEMBL9684612 0.81 HTT (0.44) MAPTALDH1A1TSHRLTA4HHPGD
SCHEMBL443386 0.81 ALDH1A1 (0.46) MAPTALDH1A1TSHRF2F10
SCHEMBL9480616 0.81 LTA4H (0.45) MAPTALDH1A1LTA4HKMT2AMEN1
SCHEMBL9686329 0.81 MEN1 (0.44) MAPTALDH1A1CES2CES1KMT2A
SCHEMBL9684613 0.81 EGFR (0.43) MAPTALDH1A1TSHRABCG2F2
SCHEMBL9479749 0.77 LTA4H (0.50) MAPTALDH1A1TSHRLTA4HSLC6A2
SCHEMBL9480720 0.77 MAPK8 (0.33) KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1091425-A Heterocyclic neophenan analogs, process for their preparation and their use as pesticides HOECHST AG (DE) 1994-08-31 CN disclosed
EP-0288810-B1 HETEROCYCLIC NEOPHANE ANALOGS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-02 EP disclosed
US-5116826-A SILAZANEOPHYL SULFIDES, AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed
US-5002957-A Insecticides, acaricides, nematocides HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-26 US disclosed
US-4990621-A Insecticides, miticides and nematocides; 3-(3-fluoro-4-phenoxyphenyl, 3-(5-fluoro-3-phenoxypyrid-2-yl) or 3-(3-methyl-4-phenyl prop-1-ene HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
US-4966902-A INSECTICIDES, MITICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-30 US disclosed
EP-0249015-B1 SILANE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THEM, AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-27 EP disclosed
EP-0224024-B1 SILANE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THEM AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-20 EP disclosed
EP-0336199-A1 Azaneophyl and silazaneophyl sulfides, process for their preparation, agents containing them, and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-11 EP disclosed
US-4864027-A INSECTICIDES, NEMATOCIDES, MITICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
EP-0288810-A1 Heterocyclic neophane analogs, processes for their preparation and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-02 EP disclosed
US-4775664-A INSECTICIDES, MITICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-04 US disclosed
EP-0249015-A1 Silane derivatives, process for their preparation, agents containing them, and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1987-12-16 EP disclosed
EP-0224024-A1 Silane derivatives, process for their preparation, agents containing them and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1987-06-03 EP disclosed