SCHEMBL31287808

SCHEMBL31287808

O=C(O)c1cc2cc(Oc3ccc(F)cc3)c(F)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ PDPK1 O15530 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ KMT2A Q03164 2/20 0.53
▸ ALOX5 P09917 1/20 0.49
▸ EIF4A3 P38919 1/20 0.47
▸ GPR35 Q9HC97 1/20 0.45
▸ FLT3 P36888 3/20 0.44
▸ SMAD3 P84022 1/20 0.43
▸ SRD5A2 P31213 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL31287689 0.83 KDM4E (0.58) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL30071322 0.82 KMT2A (0.61) KDM4EHPGDHSD17B10ALDH1A1PDPK1
SCHEMBL20494611 0.82 KMT2A (0.61) KDM4EHPGDHSD17B10ALDH1A1PDPK1
SCHEMBL31287858 0.82 KMT2A (0.78) KDM4EHPGDHSD17B10ALDH1A1PDPK1
SCHEMBL1144949 0.79 SRD5A2 (0.56) KDM4EHPGDHSD17B10ALDH1A1PDPK1
SCHEMBL914933 0.77 SRD5A2 (0.56) KDM4EHPGDHSD17B10ALDH1A1PDPK1
SCHEMBL23389139 0.76 EIF4A3 (0.50) KDM4EHPGDHSD17B10ALDH1A1PDPK1
SCHEMBL30068484 0.76 EIF4A3 (0.50) KDM4EHPGDHSD17B10ALDH1A1PDPK1
SCHEMBL1822934 0.76 EIF4A3 (0.68) KDM4EHPGDHSD17B10ALDH1A1PDPK1
SCHEMBL31287891 0.74 LGALS8 (0.59) KDM4EHPGDHSD17B10ALDH1A1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852135-A N-acyl sulfonamide compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-10-29 — — CN disclosed
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