SCHEMBL8633987

SCHEMBL8633987

CCCCCCCc1cccc2[nH]nnc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.42
KCNH2 Q12809 2/20 0.42
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
PTGS2 P35354 2/20 0.39
ALOX5 P09917 1/20 0.39
TLR8 Q9NR97 1/20 0.37

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
SCHEMBL8664501 1.00 LIPG (0.42) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL28043410 1.00 LIPG (0.42) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL7549695 1.00 LIPG (0.42) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL28479318 1.00 LIPG (0.42) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL27635841 1.00 LIPG (0.42) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL29743329 1.00 LIPG (0.42) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL8406883 1.00 LIPG (0.42) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL461413 1.00 LIPG (0.42) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL460020 1.00 LIPG (0.42) LIPGKCNH2BIDMCL1BCL2L1
Ammonia Solution, Strong SCHEMBL28384089 0.98 LIPG (0.41) LIPGKCNH2BIDMCL1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397454-A1 Higher alkylbenzotriazoles as copper and copper alloy corrosion inhibitors CALGON CORPORATION (US) 1990-11-14 EP claimed
CN-117980273-A Solid phosphorus-free scale and corrosion inhibitor composition for cooling water treatment 埃科莱布美国股份有限公司 2024-05-03 CN disclosed
CN-109642331-A For alleviating the benzotriazole and tolytriazole derivative of corrosion 艺康美国股份有限公司 2019-04-16 CN disclosed
US-5746947-A BENZOTRIAZOLE AND TETRAZOLE DERIVATIVES AS CORROSION INHIBITORS CALGON CORPORATION (US) 1998-05-05 US disclosed
EP-0462809-B1 Method of inhibiting corrosion of copper and copper alloy with alkylbenzotriazole compositions CALGON CORP (US) 1994-03-23 EP disclosed
EP-0462809-A1 Method of inhibiting corrosion of copper and copper alloy with alkylbenzotriazole compositions CALGON CORPORATION (US) 1991-12-27 EP disclosed
EP-0397454-A1 Higher alkylbenzotriazoles as copper and copper alloy corrosion inhibitors CALGON CORPORATION (US) 1990-11-14 EP disclosed