SCHEMBL29377565

SCHEMBL29377565

Nc1cc(S(F)(F)(F)(F)F)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ KDM4E B2RXH2 6/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TDP1 Q9NUW8 4/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PPM1B O75688 1/20 0.46
▸ IDO1 P14902 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ AKR1C3 P42330 4/20 0.43
▸ AKR1C2 P52895 4/20 0.43
▸ PTGS2 P35354 3/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ TAS2R14 Q9NYV8 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ GFER P55789 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ MEN1 O00255 3/20 0.41

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
SCHEMBL1194182 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL21814272 0.85 KEAP1 (0.58) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL1194676 0.83 HSD17B1 (0.38) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL14236427 0.79 KDM4E (0.33) ALDH1A1KDM4EHPGDHSD17B10AKR1C3
SCHEMBL1194761 0.79 PTPN1 (0.34) ALDH1A1KDM4EHPGDHSD17B10AKR1C3
SCHEMBL22628276 0.78 AKR1C2 (0.44) ALDH1A1KDM4EKEAP1AKR1C3AKR1C2
SCHEMBL1633725 0.77 RXRB (0.46) ALDH1A1KDM4EHPGDHSD17B10AKR1C3
SCHEMBL2342293 0.77 TSHR (0.57) ALDH1A1KDM4ETDP1AKR1C3AKR1C2
SCHEMBL31046844 0.75 AKR1C3 (0.39) ALDH1A1ALOX15AKR1C3AKR1C2PTGS2
SCHEMBL2348838 0.74 PTGS2 (0.44) ALDH1A1KDM4EHPGDHSD17B10AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118791407-A Sulfinylamino group benzamide and process for preparing same Sulfonylamino benzamide derivatives 奥索生物公司 2024-10-18 — — CN disclosed
CN-118638096-A Sulfinylamino group benzamide and process for preparing same Sulfonylamino benzamide derivatives 奥索生物公司 2024-09-13 — — CN disclosed
CN-112204008-B Sulfonylaminobenzamides and sulfonylaminobenzamide derivatives 奥索生物公司 2024-07-05 — — CN disclosed
CN-114042070-A Compounds as neuronal histamine receptor-3 antagonists and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2022-02-15 — — CN disclosed
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