SCHEMBL2533168

SCHEMBL2533168

BrC#Cc1ccc(C#CBr)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.42
▸ MAPT P10636 1/20 0.35
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32

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
SCHEMBL30486018 0.90 CYP1A1 (0.44) APPMAPTCYP1A1CYP1A2CYP1B1
SCHEMBL20138872 0.87 CYP2A6 (0.47) APP
SCHEMBL990765 0.85 LMNA (0.44) APPMAPT
SCHEMBL22779082 0.85 GRM5 (0.48) MAPT
SCHEMBL28858477 0.85 CA2 (0.48) —
SCHEMBL205838 0.83 — —
SCHEMBL28595323 0.83 KDM4E (0.32) APPMAPTCYP1A2
SCHEMBL938957 0.81 APP (0.61) APPMAPTCYP1A1CYP1A2CYP1B1
SCHEMBL28607595 0.81 CYP1A2 (0.60) APPMAPTCYP1A1CYP1A2CYP1B1
SCHEMBL21332628 0.79 KIF11 (0.48) CYP1A2

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-113845658-B Porous organic polymer, preparation method and application thereof 南京理工大学 2023-04-28 — — CN claimed
CN-113800998-B Preparation method of (2-bromoethynyl) benzene compound 浙江师范大学 2023-08-25 — — CN disclosed
CN-113845658-B Porous organic polymer, preparation method and application thereof 南京理工大学 2023-04-28 — — CN disclosed
CN-113845658-B Porous organic polymer, preparation method and application thereof 南京理工大学 2023-04-28 — — CN disclosed
US-8288497-B2 Synthesis of poly-(P-aryleneethynylene)s in neat water under aerobic conditions THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-10-16 — — US disclosed
US-20110257356-A1 Synthesis of Poly-(P-Aryleneethynylene)s in Neat Water Under Aerobic Conditions THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-10-20 — — US disclosed
US-20090326150-A1 SYNTHESIS OF POLY-(P-ARYLENEETHYNYLENE)S IN NEAT WATER UNDER AEROBIC CONDIT THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-12-31 — — US disclosed
Send feedback