SCHEMBL23320573

SCHEMBL23320573

CS(=O)(=O)c1cccc(-n2cc3ccc(NC(=O)O)cc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.41
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.39
KCNH2 Q12809 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
ADORA1 P30542 1/20 0.38
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL23320423 0.86 RORC (0.44) NAMPTNR1H2NR1H3
SCHEMBL30323648 0.86 RORC (0.44) NAMPTNR1H2NR1H3
SCHEMBL30943213 0.82 NAMPT (0.75) NAMPT
SCHEMBL23320417 0.82 NAMPT (0.75) NAMPT
SCHEMBL23320422 0.79 NR1H2 (0.37) NAMPTSMN1; SMN2PIK3CDPIK3CGCYP2D6
SCHEMBL23320351 0.79 MAPT (0.46) SMN1; SMN2CYP2D6CYP2C9NR1H2NR1H3
SCHEMBL23320393 0.79 MEN1 (0.40) SMN1; SMN2CYP2D6CYP2C9NR1H2NR1H3
SCHEMBL2177704 0.73 ALDH1A1 (0.58) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL19581840 0.70 MAPT (0.48) NAMPTSMN1; SMN2CYP2D6CYP3A4MAPT
SCHEMBL3641867 0.68 ALDH1A1 (0.54) NAMPTSMN1; SMN2MAPTNPC1MEN1

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
EP-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 EP disclosed
CN-112654608-A Condensed ring compounds having urea structure 桑福德伯纳姆普利斯医学发现研究所 2021-04-13 CN disclosed