SCHEMBL28627079

SCHEMBL28627079

N#Cc1ccc(COc2cc(Cl)ccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.50
MAOB P27338 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
MAOA P21397 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
CYP19A1 P11511 2/20 0.41
KDM5A P29375 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CYP3A4 P08684 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL510247 0.82 MAOB (0.45) GRM5MAOBMAOAKDM5AKDM2B
SCHEMBL1711886 0.80 NPC1 (0.40) GRM5
SCHEMBL784744 0.79 NPC1 (0.49) GRM5CYP3A4
SCHEMBL17488179 0.77 TDP1 (0.47) GRM5MAOBTDP1MAOACYP19A1
SCHEMBL4932804 0.76 GRM5 (0.47) GRM5MAOBMAOA
SCHEMBL4935729 0.75 GRM5 (0.52) GRM5MAOBCYP19A1CYP3A4
SCHEMBL2961465 0.75 MAOB (0.56) GRM5MAOBCYP19A1KDM4C
SCHEMBL6980988 0.74 MAOB (0.68) MAOBMAOAPSEN1PSEN2APH1B
SCHEMBL4930363 0.74 GABRA5 (0.53) GRM5MAOBCYP19A1KDM4CCYP3A4
SCHEMBL4927835 0.74 PDE2A (0.48) GRM5MAOBMAOACYP19A1

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
CN-113278409-B High-temperature acidizing corrosion inhibitor 西南石油大学 2022-04-29 CN claimed
CN-113278409-A High-temperature acidizing corrosion inhibitor 西南石油大学 2021-08-20 CN claimed
CN-119504634-A High-temperature acidification corrosion inhibitor and preparation method and application thereof 胜利油田华滨化工有限责任公司 2025-02-25 CN disclosed
CN-113278409-B High-temperature acidizing corrosion inhibitor 西南石油大学 2022-04-29 CN disclosed
CN-113278409-B High-temperature acidizing corrosion inhibitor 西南石油大学 2022-04-29 CN disclosed
CN-113278409-A High-temperature acidizing corrosion inhibitor 西南石油大学 2021-08-20 CN disclosed
CN-113278409-A High-temperature acidizing corrosion inhibitor 西南石油大学 2021-08-20 CN disclosed