SCHEMBL29365841

SCHEMBL29365841

Cc1cccc(-n2nc(C(F)F)c3ccc([N+](=O)[O-])cc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ ELANE P08246 3/20 0.44
▸ F2 P00734 2/20 0.44
▸ PLAU P00749 2/20 0.44
▸ CTRB1 P17538 2/20 0.44
▸ TSHR P16473 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HKDC1 Q2TB90 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PIK3CD O00329 1/20 0.39
▸ NPC1 O15118 3/20 0.39

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
SCHEMBL29369460 0.84 ALDH1A1 (0.53) ALDH1A1HPGDELANEF2PLAU
SCHEMBL29366393 0.82 ALDH1A1 (0.51) ALDH1A1HPGDELANEF2PLAU
SCHEMBL22559668 0.81 ALDH1A1 (0.49) ALDH1A1HPGDELANEF2PLAU
SCHEMBL29368322 0.81 ALDH1A1 (0.49) ALDH1A1HPGDELANEF2PLAU
SCHEMBL22567254 0.80 PIK3CD (0.47) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL29368289 0.80 ALDH1A1 (0.48) ALDH1A1HPGDELANEF2PLAU
Hydrochloric Acid SCHEMBL22559645 0.79 PIK3CD (0.46) ALDH1A1MAPTKMT2ALMNAKDM4E
Hydrochloric Acid SCHEMBL29369728 0.79 PIK3CD (0.46) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL24543271 0.72 MAPT (0.55) ALDH1A1HPGDTSHRACHEMAPT
SCHEMBL22559669 0.72 ALDH1A1 (0.56) ALDH1A1HPGDTSHRACHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3955914-A1 NOVEL COMPOUNDS AND METHODS OF USE TREATING FRUCTOSE-RELATED DISORDERS OR DISEASES Colorado Research Partners, LLC (US) 2022-02-23 — — EP disclosed
CN-114007602-A Novel compounds and methods of use for treating fructose-related disorders or diseases 科罗拉多研究合作伙伴有限责任公司 2022-02-01 — — CN disclosed
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