SCHEMBL31287844

SCHEMBL31287844

CCOC(=O)c1cc2cc(Oc3ccc(Br)cc3F)ccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ HPGD P15428 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ HTT P42858 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ LGALS8 O00214 2/20 0.54
▸ LGALS3 P17931 2/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.52
▸ MMP13 P45452 7/20 0.51
▸ MMP2 P08253 5/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL31287891 0.84 LGALS8 (0.59) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL31287884 0.84 KDM4E (0.65) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL31435632 0.83 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL333895 0.83 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL15642789 0.81 KDM4E (0.72) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL31287825 0.81 KDM4E (0.61) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL31287713 0.81 KDM4E (0.70) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL31287767 0.81 KDM4E (0.70) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL31287852 0.78 KDM4E (0.63) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL8870168 0.78 KDM4E (0.75) KDM4EALDH1A1HPGDRAB9ANPC1

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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