SCHEMBL22735770

SCHEMBL22735770

COC(=O)c1ccc(-n2cc(-c3ccnc(N)c3[N+](=O)[O-])cn2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ EGLN1 Q9GZT9 3/20 0.37
▸ MAPT P10636 1/20 0.36
▸ CRBN Q96SW2 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ DDB1 Q16531 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALKBH5 Q6P6C2 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ OGA O60502 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 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
SCHEMBL29567643 1.00 KMT2A (0.37) KMT2ARAB9ANPC1EGLN1MAPT
SCHEMBL29480744 0.88 LMNA (0.44) EGLN1GRM4
SCHEMBL29480689 0.80 GRM4 (0.35) NPC1EGLN1MAPTGRM4
SCHEMBL22735911 0.80 GRM4 (0.35) NPC1EGLN1MAPTGRM4
SCHEMBL29480668 0.80 EGLN1 (0.38) EGLN1GRM4
SCHEMBL22736533 0.80 EGLN1 (0.38) EGLN1GRM4
SCHEMBL22736327 0.79 KCNJ1 (0.38) GRM4
SCHEMBL29480741 0.79 KCNJ1 (0.38) GRM4
SCHEMBL22735925 0.79 PIK3CD (0.34) EGLN1KDM4ECCNCCDK8
SCHEMBL29480648 0.79 NPSR1 (0.35) KMT2AMAPTL3MBTL1

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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