SCHEMBL22735757

SCHEMBL22735757

Nc1nccc(-c2cnn(-c3ccc(C(O)(C4CC4)C(F)(F)F)cn3)c2)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.33
▸ SERPINE1 P05121 1/20 0.31
▸ GRM4 Q14833 2/20 0.31
▸ GCK P35557 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 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
SCHEMBL29480733 1.00 HDAC4 (0.33) HDAC4SERPINE1GRM4GCKMEN1
SCHEMBL29480700 0.94 MELK (0.31) HDAC4
SCHEMBL29480757 0.94 CYP3A4 (0.31) HDAC4GCKCYP3A4CYP2D6
SCHEMBL22736147 0.94 CYP3A4 (0.31) HDAC4GCKCYP3A4CYP2D6
SCHEMBL22736348 0.91 MAP3K7 (0.37) GRM4MEN1KMT2A
SCHEMBL29480761 0.91 MAP3K7 (0.37) GRM4MEN1KMT2A
SCHEMBL22735756 0.89 CCNT1 (0.35) —
SCHEMBL29568176 0.89 CCNT1 (0.35) —
SCHEMBL29480654 0.87 GRM4 (0.35) HDAC4GRM4GCKKDM4EABL1
SCHEMBL22735754 0.84 GRM4 (0.34) HDAC4GRM4

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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