SCHEMBL4636700

SCHEMBL4636700

O=S(=O)(NCc1ccncc1)c1ccccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.57
CNR2 P34972 2/20 0.56
NAMPT P43490 2/20 0.55
NSD2 O96028 3/20 0.53
NR2F2 P24468 2/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 2/20 0.50
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NPY1R P25929 1/20 0.48
NPY5R Q15761 1/20 0.48
NPC1 O15118 1/20 0.48
NOD2 Q9HC29 1/20 0.48
SLC22A12 Q96S37 3/20 0.47
MMP7 P09237 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL22489905 0.85 PRMT6 (0.48) SMN1; SMN2LMNACNR2NAMPTNSD2
SCHEMBL4617728 0.81 LMNA (0.60) SMN1; SMN2LMNACNR2NAMPTHTT
SCHEMBL30230094 0.80 NSD2 (0.57) CNR2NSD2ALDH1A1HTTPOLB
SCHEMBL17101697 0.80 NPY1R (0.51) SMN1; SMN2LMNACNR2NSD2ALDH1A1
SCHEMBL11174344 0.78 SMN1; SMN2 (0.69) SMN1; SMN2LMNANAMPTNSD2NR2F2
SCHEMBL12078262 0.77 NAMPT (0.69) NAMPTRAB9ANPC1
SCHEMBL4783275 0.76 SMN1; SMN2 (0.49) SMN1; SMN2LMNACNR2NAMPTNSD2
SCHEMBL22489803 0.74 SLC22A12 (0.49) LMNACNR2ALDH1A1POLBRXFP1
SCHEMBL4662893 0.73 SMN1; SMN2 (1.00) SMN1; SMN2LMNANAMPTNR2F2ALDH1A1
SCHEMBL3692624 0.73 CA12 (0.55) ALDH1A1SLC22A12MMP7CYP2C9SLC22A6

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-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 WO disclosed