SCHEMBL22735773

SCHEMBL22735773

Nc1nccc(-c2cnn(-c3cccc(C(CCO)C(F)(F)F)n3)c2)c1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.32
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ GSK3A P49840 1/20 0.30
▸ GSK3B P49841 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
SCHEMBL29480756 1.00 GRM4 (0.32) GRM4POLBMAPTGSK3AGSK3B
SCHEMBL29480706 0.92 GRM4 (0.32) GRM4
SCHEMBL29480713 0.90 GRM4 (0.30) GRM4
SCHEMBL29480659 0.86 GRM4 (0.31) GRM4
SCHEMBL22735946 0.86 GRM4 (0.31) GRM4
SCHEMBL22736035 0.85 KDM5A (0.31) GRM4
SCHEMBL29480669 0.78 GRM4 (0.31) GRM4
SCHEMBL29480662 0.77 HTT (0.41) GRM4MAPT
SCHEMBL22736542 0.77 GRM4 (0.33) GRM4
SCHEMBL29480661 0.76 GRM4 (0.31) GRM4

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
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
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