SCHEMBL26654613

SCHEMBL26654613

CNc1ccc(Br)c(CO)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ HCAR3 P49019 1/20 0.38
▸ HTT P42858 2/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ LMNA P02545 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ RECQL P46063 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
SCHEMBL26654608 0.85 PTGER4 (0.43) PTGER4MAPTHCAR3HTTKMT2A
SCHEMBL18197380 0.84 PTGER4 (0.39) PTGER4MAPTHCAR3HTTKMT2A
SCHEMBL20599279 0.81 PTGER4 (0.36) PTGER4MAPTHCAR3HTTKMT2A
SCHEMBL16750263 0.77 MEN1 (0.43) PTGER4MAPTHCAR3HTTKMT2A
SCHEMBL29558653 0.77 MEN1 (0.43) PTGER4MAPTHCAR3HTTKMT2A
SCHEMBL16831434 0.76 PTGER4 (0.58) PTGER4MAPTHCAR3HTTKMT2A
SCHEMBL16738942 0.76 PTGER4 (0.38) PTGER4MAPTHCAR3HTTKMT2A
SCHEMBL18350316 0.76 PTGER4 (0.38) PTGER4ALDH1A1HSD17B10
SCHEMBL16831028 0.75 AR (0.37) PTGER4MAPTHCAR3HTTKMT2A
SCHEMBL26654825 0.74 PTGER4 (0.40) PTGER4MAPTHCAR3KMT2AMEN1

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
EP-4524139-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-03-19 — — EP disclosed
CN-117069725-A Imidazopyridazine substituted benzene ring derivative, preparation method, pharmaceutical composition and application 上海赛默罗生物科技有限公司 2023-11-17 — — CN disclosed
WO-2023216753-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 上海赛默罗生物科技有限公司 2023-11-16 — — WO disclosed
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