SCHEMBL29718486

SCHEMBL29718486

NC(=O)Cc1ccccc1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ CXCL8 P10145 1/20 0.41
▸ MAP3K7 O43318 1/20 0.41
▸ TAB1 Q15750 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ TNF P01375 1/20 0.41
▸ KCNJ5 P48544 1/20 0.41
▸ KCNJ3 P48549 1/20 0.41
▸ ALKBH1 Q13686 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ SLC6A2 P23975 1/20 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
SCHEMBL20777752 0.86 KCNJ5 (0.44) L3MBTL1KMT2ACXCL8SMN1; SMN2HTT
SCHEMBL29718735 0.84 CXCL8 (0.58) L3MBTL1KMT2ACXCL8ALKBH1CYP2D6
SCHEMBL3135922 0.84 CXCL8 (0.58) L3MBTL1KMT2ACXCL8ALKBH1CYP2D6
SCHEMBL22994473 0.80 HPGD (0.45) L3MBTL1KMT2ASMN1; SMN2HTTTNF
SCHEMBL24603013 0.80 L3MBTL1 (0.47) L3MBTL1KMT2ACXCL8MAP3K7TAB1
SCHEMBL909198 0.78 TBXAS1 (0.48) L3MBTL1KMT2ASMN1; SMN2TNFMEN1
SCHEMBL28115191 0.78 CYP1A2 (0.41) L3MBTL1KMT2ACXCL8SMN1; SMN2HTT
SCHEMBL1010680 0.77 LMNA (0.64) L3MBTL1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL16830102 0.76 MTNR1A (0.52) KMT2AMAPK1
SCHEMBL10565876 0.76 GRIN2B (0.48) L3MBTL1CXCL8SMN1; SMN2LMNAALDH1A1

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
WO-2023190826-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR SUPPRESSING OR TREATING SYMPTOMS ACCOMPANYING PSEUDO-ALLERGIC REACTIONS 学校法人 高崎健康福祉大学 2023-10-05 — — WO disclosed
CN-109415321-B Aromatic sulfonamide derivatives 拜耳制药股份公司 2022-06-17 — — CN disclosed
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