SCHEMBL29185656

SCHEMBL29185656

Cc1nn(Cc2ccc(C(F)(F)F)cc2)c(C)c1Br

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.53
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC2A1 P11166 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL18483490 0.84 PTGDR2 (0.55) PTGDR2SLC2A1GAAGFER
SCHEMBL16832433 0.82 SLC2A1 (0.70) PTGDR2SLC2A1GAAGFER
SCHEMBL31673676 0.77 POLB (0.70) PTGDR2
SCHEMBL29050427 0.77 ALDH1A1 (0.50) PTGDR2SLC2A1ALDH1A1HTTSMN1; SMN2
SCHEMBL16832937 0.76 GAA (0.56) PTGDR2ALDH1A1HTTSMN1; SMN2GAA
SCHEMBL31466465 0.76 PTGER1 (0.46) PTGDR2ALDH1A1
SCHEMBL30063369 0.74 PTGDR2 (0.47) PTGDR2SLC2A1GAAGFER
SCHEMBL29185672 0.73 KDM4E (0.41) PTGDR2ALDH1A1
SCHEMBL10173858 0.72 PTGDR2 (0.81) PTGDR2
SCHEMBL30128717 0.72 LMNA (0.57) PTGDR2HTTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4346805-A1 PYRIMIDINE AND PYRIDINE AMINE COMPOUNDS AND USAGE THEREOF IN DISEASE TREATMENT Epigen Biosciences, Inc. (US) 2024-04-10 EP disclosed
CN-117500496-A Pyrimidine and pyridinamine compounds and their use in the treatment of diseases 艾匹根生物技术有限公司 2024-02-02 CN disclosed
WO-2022256075-A1 PYRIMIDINE AND PYRIDINE AMINE COMPOUNDS AND USAGE THEREOF IN DISEASE TREATMENT EPIGEN BIOSCIENCES, INC. (US) 2022-12-08 WO disclosed