SCHEMBL6949947

SCHEMBL6949947

BrCCCCCCCCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
CYP1A2 P05177 1/20 0.35
KDM5A P29375 1/20 0.34
KDM7A Q6ZMT4 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4559904 1.00
SCHEMBL9085332 1.00 SIGMAR1 (0.42) SIGMAR1CYP1A2KDM5AKDM7AKDM4C
SCHEMBL11673856 0.97 SIGMAR1 (0.39) SIGMAR1CYP1A2KDM5AKDM7AKDM4C
SCHEMBL9225357 0.97
SCHEMBL7751427 0.89 SIGMAR1 (0.56) SIGMAR1CYP1A2KDM5AKDM4CPHF8
SCHEMBL5883811 0.89 SIGMAR1 (0.56) SIGMAR1CYP1A2KDM5AKDM4CPHF8
SCHEMBL5883750 0.89 SIGMAR1 (0.50) SIGMAR1CYP1A2KDM5AKDM4CPHF8
SCHEMBL4807841 0.88 SIGMAR1 (0.40) SIGMAR1KDM5AKDM7AKDM4CPHF8
SCHEMBL4807846 0.88 SIGMAR1 (0.40) SIGMAR1KDM5AKDM7AKDM4CPHF8
SCHEMBL281878 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639189-B1 PYRIDYLPYRIMIDINES, A METHOD OF PREPARING THEM, AND THEIR USE IN LIQUID-CRYSTAL MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2003-02-19 EP disclosed
US-5443754-A Pyridylpyrimidines, a process for their preparation and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-22 US disclosed
US-5439612-A Ferroelectric switches, displaying HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-08 US disclosed
EP-0639189-A1 PYRIDYLPYRIMIDINES, A METHOD OF PREPARING THEM, AND THEIR USE IN LIQUID-CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1995-02-22 EP disclosed
EP-0639189-A4 PYRIDYLPYRIMIDINES, A METHOD OF PREPARING THEM, AND THEIR USE IN LIQUID-CRYSTAL MIXTURES. AVENTIS RES & TECH GMBH & CO (DE) 1993-09-17 EP disclosed
US-5200521-A Ferroelectricity; electrooptical switching and display devices HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-06 US disclosed
WO-1992012974-A1 PYRIDYLPYRIMIDINES, A METHOD OF PREPARING THEM, AND THEIR USE IN LIQUID-CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-06 WO disclosed
EP-0477901-A2 Cyclohexylphenylpyrimidines, process for their preparation und their use in liquid crystal compositions HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-01 EP disclosed