SCHEMBL23754700

SCHEMBL23754700

Cn1c(=O)oc(=O)c2cccc([N+](=O)[O-])c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ KLK3 P07288 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ F2 P00734 1/20 0.42
▸ C1R P00736 1/20 0.42
▸ FGFR1 P11362 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PIK3CD O00329 1/20 0.38

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
SCHEMBL29551165 0.76 TDP1 (0.41) GAATDP1ALDH1A1MAPTGPR35
SCHEMBL27210134 0.76 ALKBH5 (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3580909 0.74 JAK2 (0.42) ALDH1A1MAPTF2C1RNPC1
SCHEMBL14692365 0.74 PSMB8 (0.40) ALDH1A1MAPTC1RNPC1RAB9A
SCHEMBL23442916 0.74 JAK2 (0.43) ALDH1A1MEN1KMT2AMAPTC1R
SCHEMBL6285886 0.73 ALKBH5 (0.54) GAATDP1ALDH1A1MAPTFGFR1
SCHEMBL5756782 0.72 TDP1 (0.43) GAATDP1ALDH1A1MAPTGPR35
SCHEMBL27150110 0.71 GAA (0.55) GAATDP1ALDH1A1MEN1KMT2A
SCHEMBL31274279 0.70 GAA (0.47) GAATDP1ALDH1A1MEN1KMT2A
SCHEMBL27138520 0.69 GAA (0.49) GAATDP1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4573503-A1 METHODS, SYSTEMS, AND MEDIA METHOD APPLYING MACHINE LEARNING TO CHEMICAL MAPPING DATA FOR RNA TERTIARY STRUCTURE PREDICTION Atomic AI, Inc. (US) 2025-06-25 — — EP claimed
US-20240079084-A1 METHODS, SYSTEMS, AND MEDIA METHOD APPLYING MACHINE LEARNING TO CHEMICAL MAPPING DATA FOR RNA TERTIARY STRUCTURE PREDICTION ATOMIC AI, INC. 2024-03-07 — — US claimed
WO-2024039884-A1 METHODS, SYSTEMS, AND MEDIA METHOD APPLYING MACHINE LEARNING TO CHEMICAL MAPPING DATA FOR RNA TERTIARY STRUCTURE PREDICTION ATOMIC AI, INC. (US) 2024-02-22 — — WO claimed
EP-4573503-A1 METHODS, SYSTEMS, AND MEDIA METHOD APPLYING MACHINE LEARNING TO CHEMICAL MAPPING DATA FOR RNA TERTIARY STRUCTURE PREDICTION Atomic AI, Inc. (US) 2025-06-25 — — EP disclosed
US-20240079084-A1 METHODS, SYSTEMS, AND MEDIA METHOD APPLYING MACHINE LEARNING TO CHEMICAL MAPPING DATA FOR RNA TERTIARY STRUCTURE PREDICTION ATOMIC AI, INC. 2024-03-07 — — US disclosed
WO-2024039884-A1 METHODS, SYSTEMS, AND MEDIA METHOD APPLYING MACHINE LEARNING TO CHEMICAL MAPPING DATA FOR RNA TERTIARY STRUCTURE PREDICTION ATOMIC AI, INC. (US) 2024-02-22 — — WO disclosed
US-20230079226-A1 A METHOD OF DETERMINING A STRUCTURE OF RIBONUCLEIC ACID MOLECULES AND RELATED KITS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-03-16 — — US disclosed
EP-4103737-A1 A METHOD OF DETERMINING A STRUCTURE OF RIBONUCLEIC ACID MOLECULES AND RELATED KITS Agency for Science, Technology and Research (SG) 2022-12-21 — — EP disclosed
WO-2021162637-A1 A METHOD OF DETERMINING A STRUCTURE OF RIBONUCLEIC ACID MOLECULES AND RELATED KITS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-08-19 — — WO disclosed
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