SCHEMBL4787528

SCHEMBL4787528

CCOc1cccc(Sc2ccc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)c3nonc23)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 8/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.43
RECQL P46063 1/20 0.42
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
ALOX15 P16050 1/20 0.41
THRB P10828 2/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4786708 0.90 MAPT (0.46) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL4742206 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL8160491 0.83 ACLY (0.50) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL4743050 0.81 TSHR (0.44) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL4787944 0.80 SMN1; SMN2 (0.48) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8154008 0.78 MAPT (0.49) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL4787536 0.78 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8161152 0.78 TP53 (0.45) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL4785277 0.78 KMT2A (0.42) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL4745397 0.77 KMT2A (0.43) ALDH1A1KMT2AMEN1MAPTRECQL

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