SCHEMBL27575403

SCHEMBL27575403

O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 5/20 0.53
KDM4E B2RXH2 4/20 0.53
HPGD P15428 3/20 0.53
TP53 P04637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RXFP1 Q9HBX9 5/20 0.51
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CRHBP P24387 1/20 0.50
CYP2C19 P33261 1/20 0.50
CRHR2 Q13324 1/20 0.50
NOD2 Q9HC29 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL2732048 0.83 KMT2A (0.60) MEN1KMT2ALMNAKDM4EHPGD
SCHEMBL11123377 0.82 CA2 (0.50) MEN1KMT2ASMN1; SMN2HTTKDM4E
Hydrochloric Acid SCHEMBL810 0.81 KMT2A (0.58) MEN1KMT2ALMNAKDM4EHPGD
SCHEMBL5444394 0.81 CA2 (0.53) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL19221685 0.80 HTT (0.72) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL11123655 0.79 CA2 (0.51) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL6755857 0.79 KMT2A (0.74) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL3353838 0.78 CA2 (0.57) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL594 0.78 CA2 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL11123463 0.78 ALDH1A1 (0.48) KMT2ASMN1; SMN2KDM4EHPGDHSD17B10

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
CN-1358062-A Macrophage scavenger receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-07-10 CN claimed
CN-1358062-A Macrophage scavenger receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-07-10 CN disclosed