SCHEMBL29026409

SCHEMBL29026409

Cc1cc(Br)cnc1OC(F)C(F)F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL15052308 0.86 AAK1 (0.38) AAK1S1PR1S1PR3NPC1ALDH1A1
SCHEMBL29217774 0.81 MET (0.32)
SCHEMBL1180451 0.80 AAK1 (0.41) AAK1S1PR1S1PR3SMN1; SMN2
SCHEMBL29026433 0.79 HCRTR1 (0.33)
SCHEMBL29026440 0.76 HCRTR1 (0.33)
SCHEMBL323430 0.74 AAK1 (0.38) AAK1S1PR1S1PR3ALDH1A1SMN1; SMN2
SCHEMBL29026448 0.72 ATM (0.43) ALDH1A1
SCHEMBL29026456 0.72
SCHEMBL1404066 0.71 AAK1 (0.42) AAK1S1PR1S1PR3SMN1; SMN2
SCHEMBL2185802 0.70 RXRA (0.32) RXRAGRIN1GRIN2B

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-116157394-A Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2023-05-23 CN disclosed