SCHEMBL31287891

SCHEMBL31287891

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 1/20 0.59
▸ LGALS3 P17931 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ FLT3 P36888 5/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ PDPK1 O15530 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ SRD5A2 P31213 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ SMAD3 P84022 1/20 0.46
▸ XDH P47989 1/20 0.45

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
SCHEMBL31287844 0.84 KDM4E (0.61) LGALS8LGALS3KMT2AFLT3KDM4E
SCHEMBL31287810 0.81 KMT2A (0.67) LGALS8LGALS3KMT2AFLT3KDM4E
SCHEMBL378196 0.78 SMAD3 (0.66) KMT2AFLT3KDM4EHPGDHSD17B10
SCHEMBL31287938 0.78 F7 (0.62) LGALS8LGALS3KMT2AFLT3KDM4E
SCHEMBL31287858 0.78 KMT2A (0.78) LGALS8KMT2AFLT3KDM4EHPGD
Hydrochloric Acid SCHEMBL6919627 0.77 SMAD3 (0.64) KMT2AFLT3KDM4EHPGDHSD17B10
SCHEMBL31287879 0.75 F7 (0.65) LGALS8LGALS3KMT2AFLT3KDM4E
SCHEMBL31287874 0.75 LGALS8 (0.62) LGALS8LGALS3KMT2AFLT3KDM4E
SCHEMBL9513175 0.74 KMT2A (1.00) LGALS8LGALS3KMT2AFLT3KDM4E
SCHEMBL31287808 0.74 KDM4E (0.56) KMT2AFLT3KDM4EHPGDHSD17B10

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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