SCHEMBL21468596

SCHEMBL21468596

Cc1cccc(C)c1-c1ccc(Nc2c(F)cccc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
RAPGEF4 Q8WZA2 6/20 0.39
ACHE P22303 1/20 0.39
SRC P12931 4/20 0.38
YES1 P07947 1/20 0.38
LMNA P02545 1/20 0.36
CHRNA7 P36544 2/20 0.36
PDGFRB P09619 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CXCR2 P25025 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL24248250 0.87 ALDH1A1 (0.49) ALDH1A1RAPGEF4ACHELMNACHRNA7
SCHEMBL25448962 0.82 SRC (0.45) ALDH1A1SRCYES1PDGFRB
SCHEMBL22923397 0.82 HDAC6 (0.40) ALDH1A1RAPGEF4SRCHDAC6HDAC1
SCHEMBL24237839 0.76 CXCR2 (0.51) ALDH1A1RAPGEF4ACHELMNACXCR2
SCHEMBL1921964 0.74 ALDH1A1 (0.64) ALDH1A1RAPGEF4LMNAHDAC6CXCR2
SCHEMBL24237192 0.74 ACHE (0.50) ALDH1A1RAPGEF4ACHELMNACXCR2
SCHEMBL21312751 0.72 KMT2A (0.53) ALDH1A1SRCLMNA
SCHEMBL30507348 0.72 MGAM (0.46) ALDH1A1ACHELMNA
SCHEMBL1033031 0.71 PTGS2 (0.50) ALDH1A1RAPGEF4LMNA
SCHEMBL4278475 0.71 ALDH1A1 (0.72) ALDH1A1RAPGEF4LMNAHDAC6CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112601753-B Fluorine-substituted polycyclic aromatic compound, material for organic device, organic electroluminescent element, display device, and lighting device 学校法人关西学院 2024-08-16 CN disclosed
WO-2019198698-A1 FLUORINE-SUBSTITUTED POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2019-10-17 WO disclosed