SCHEMBL4787944

SCHEMBL4787944

CCOc1cccc(Sc2ccc(S(=O)(=O)N3CC(C)OC(C)C3)c3nonc23)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 8/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
NOTUM Q6P988 1/20 0.37
RORC P51449 1/20 0.36

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
SCHEMBL4743050 0.92 TSHR (0.44) SMN1; SMN2LMNAHTTRECQLTSHR
SCHEMBL4743021 0.91 ALDH1A1 (0.42) SMN1; SMN2LMNAHTTRECQLTSHR
SCHEMBL4788634 0.89 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHTTRECQLTSHR
SCHEMBL4788023 0.82 TSHR (0.43) LMNARECQLTSHRMAPTPOLB
SCHEMBL4742206 0.81 ALDH1A1 (0.43) SMN1; SMN2HTTALDH1A1MAPTPOLB
SCHEMBL4746166 0.80 TSHR (0.43) SMN1; SMN2LMNAHTTRECQLTSHR
SCHEMBL4787528 0.80 ALDH1A1 (0.47) SMN1; SMN2LMNAHTTRECQLALDH1A1
SCHEMBL4785277 0.78 KMT2A (0.42) SMN1; SMN2LMNAHTTRECQLTSHR
SCHEMBL4785121 0.77 TSHR (0.54) SMN1; SMN2LMNAHTTRECQLTSHR
SCHEMBL4787718 0.77 TSHR (0.41) SMN1; SMN2LMNAHTTRECQLTSHR

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
WO-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO claimed