SCHEMBL30874142

SCHEMBL30874142

Cc1cc(Br)cnc1-c1ncc(Br)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
DYRK1A Q13627 4/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
UHRF1 Q96T88 1/20 0.36
NPC1 O15118 1/20 0.34
AURKA O14965 2/20 0.33
DAPK3 O43293 2/20 0.33
JAK2 O60674 2/20 0.33
MAP4K4 O95819 2/20 0.33
PAK4 O96013 2/20 0.33

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
SCHEMBL12973187 1.00 SMN1; SMN2 (0.45) SMN1; SMN2HTTKMT2AS1PR1S1PR3
SCHEMBL10472664 0.83 SMN1; SMN2 (0.47) SMN1; SMN2HTTS1PR1S1PR3DYRK1A
SCHEMBL18136474 0.81 DYRK1B (0.46) SMN1; SMN2HTTKMT2ADYRK1AALDH1A1
SCHEMBL4383276 0.81 S1PR1 (0.37) SMN1; SMN2HTTKMT2AS1PR1S1PR3
SCHEMBL1029235 0.80 S1PR1 (0.43) SMN1; SMN2HTTKMT2AS1PR1S1PR3
SCHEMBL390289 0.79
SCHEMBL29393219 0.79
SCHEMBL1180586 0.79
SCHEMBL29845509 0.79
SCHEMBL22686569 0.78 MAPT (0.41) SMN1; SMN2HTTKMT2AS1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117561233-A Compound, composition, cured product, optically anisotropic body, optical element, and light guide element 富士胶片株式会社 2024-02-13 CN disclosed