SCHEMBL4786708

SCHEMBL4786708

CCOc1ccc(Sc2ccc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)c3nonc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
LMNA P02545 3/20 0.46
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
ALOX15 P16050 1/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
ACLY P53396 1/20 0.40
APOBEC3A P31941 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL8160491 0.91 ACLY (0.50) MAPTLMNARECQLALDH1A1MEN1
SCHEMBL4787528 0.90 ALDH1A1 (0.47) MAPTLMNARECQLNPSR1ALDH1A1
SCHEMBL4746863 0.86 MAPT (0.45) MAPTALDH1A1KMT2ATDP1POLB
SCHEMBL4746166 0.79 TSHR (0.43) MAPTLMNARECQLNPSR1ALDH1A1
SCHEMBL8154008 0.79 MAPT (0.49) MAPTLMNARECQLALDH1A1MEN1
SCHEMBL4788634 0.79 SMN1; SMN2 (0.48) MAPTLMNARECQLALDH1A1MEN1
SCHEMBL4787536 0.78 ALDH1A1 (0.55) MAPTLMNARECQLALDH1A1MEN1
SCHEMBL4786988 0.77 ALDH1A1 (0.46) MAPTLMNARECQLALDH1A1MEN1
SCHEMBL4742206 0.76 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL5292057 0.76 MEN1 (0.47) MAPTLMNAALDH1A1MEN1KMT2A

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