SCHEMBL4788023

SCHEMBL4788023

COc1cccc(Sc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)c3nonc23)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
POLB P06746 4/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
LMNA P02545 1/20 0.40
ALOX15 P16050 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CLK1 P49759 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
THRB P10828 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
SCHEMBL4743021 0.91 ALDH1A1 (0.42) TSHRPOLBKMT2AMEN1LMNA
SCHEMBL4743050 0.91 TSHR (0.44) TSHRGFERPOLBKMT2AMEN1
SCHEMBL4786482 0.88 TSHR (0.42) TSHRGFERPOLBKMT2AMEN1
SCHEMBL4745397 0.86 KMT2A (0.43) POLBKMT2AMEN1ALOX15L3MBTL1
SCHEMBL4746067 0.83 KMT2A (0.46) POLBKMT2AMEN1LMNAALOX15
SCHEMBL4787944 0.82 SMN1; SMN2 (0.48) TSHRPOLBKMT2AMEN1LMNA
SCHEMBL4787200 0.81 TSHR (0.43) TSHRGFERPOLBKMT2ALMNA
SCHEMBL4787431 0.81 IDO1 (0.47) TSHRGFERPOLBKMT2AMEN1
SCHEMBL8161152 0.81 TP53 (0.45) TSHRPOLBKMT2AMEN1LMNA
SCHEMBL4746166 0.80 TSHR (0.43) TSHRGFERPOLBKMT2AMEN1

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