SCHEMBL29480744

SCHEMBL29480744

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ EGLN1 Q9GZT9 14/20 0.41
▸ ALKBH2 Q6NS38 1/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ GRM4 Q14833 1/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GABRA4 P48169 1/20 0.35
▸ GABRE P78334 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ GABRG1 Q8N1C3 1/20 0.35
▸ GABRG3 Q99928 1/20 0.35

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
SCHEMBL22735770 0.88 KMT2A (0.37) EGLN1GRM4
SCHEMBL29567643 0.88 KMT2A (0.37) EGLN1GRM4
SCHEMBL29480689 0.83 GRM4 (0.35) EGLN1GRM4
SCHEMBL22735911 0.83 GRM4 (0.35) EGLN1GRM4
SCHEMBL22736327 0.82 KCNJ1 (0.38) GRM4
SCHEMBL29480741 0.82 KCNJ1 (0.38) GRM4
SCHEMBL22735925 0.82 PIK3CD (0.34) EGLN1
SCHEMBL22736533 0.81 EGLN1 (0.38) EGLN1GRM4
SCHEMBL29480668 0.81 EGLN1 (0.38) EGLN1GRM4
SCHEMBL29480690 0.80 OGA (0.34) EGLN1GRM4

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
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