SCHEMBL4785277

SCHEMBL4785277

CCOc1cccc(Sc2ccc(S(=O)(=O)N3CCC(O)(c4ccc(OC)cc4)CC3)c3nonc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.42
MEN1 O00255 6/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HSD11B1 P28845 1/20 0.41
MAPT P10636 5/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.38
RECQL P46063 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 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
SCHEMBL4784226 0.94 KMT2A (0.46) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL4786988 0.91 ALDH1A1 (0.46) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL4785661 0.88 KMT2A (0.50) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL4786353 0.83 ALDH1A1 (0.49) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL4788750 0.82 HSD11B1 (0.47) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL4745397 0.80 KMT2A (0.43) KMT2AMEN1ALDH1A1POLBHSD17B10
SCHEMBL4743050 0.78 TSHR (0.44) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL4746067 0.78 KMT2A (0.46) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL4787944 0.78 SMN1; SMN2 (0.48) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL4787528 0.78 ALDH1A1 (0.47) KMT2AMEN1LMNAALDH1A1POLB

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