SCHEMBL29480689

SCHEMBL29480689

Nc1nccc(-c2cnn(-c3ccc(CO)cn3)c2)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ VHL P40337 1/20 0.34
▸ EGLN1 Q9GZT9 11/20 0.33
▸ EGLN2 Q96KS0 1/20 0.32
▸ HTT P42858 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ MTNR1A P48039 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL22735911 1.00 GRM4 (0.35) GRM4KDM5AVHLEGLN1EGLN2
SCHEMBL22736126 0.87 EGLN1 (0.37) GRM4EGLN1
SCHEMBL29480720 0.87 EGLN1 (0.37) GRM4EGLN1
SCHEMBL29480741 0.84 KCNJ1 (0.38) GRM4HTR2BMTNR1AKCNH2
SCHEMBL22736327 0.84 KCNJ1 (0.38) GRM4HTR2BMTNR1AKCNH2
SCHEMBL29567802 0.84 EGLN1 (0.34) GRM4EGLN1MAPT
SCHEMBL29480744 0.83 LMNA (0.44) GRM4EGLN1
SCHEMBL31158291 0.81 TLR7 (0.32) GRM4EGLN1
SCHEMBL22735770 0.80 KMT2A (0.37) GRM4EGLN1NPC1MAPT
SCHEMBL29480690 0.80 OGA (0.34) GRM4EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174294-B Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2024-10-25 — — CN disclosed
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 — — EP disclosed
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN disclosed
Send feedback