SCHEMBL4787200

SCHEMBL4787200

COc1ccccc1Sc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)c2nonc12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
POLB P06746 4/20 0.43
KMT2A Q03164 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 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
SCHEMBL4743057 0.91 ALDH1A1 (0.47) TSHRPOLBKMT2ALMNAALDH1A1
SCHEMBL4745419 0.85 MCOLN3 (0.46) TSHRKMT2ALMNAALDH1A1
SCHEMBL5291346 0.84 ALDH1A1 (0.51) POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL4805415 0.84 KMT2A (0.49) POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL4745387 0.84 TSHR (0.51) TSHRGFERPOLBKMT2ALMNA
SCHEMBL4786482 0.82 TSHR (0.42) TSHRGFERPOLBKMT2ARXFP1
SCHEMBL4746895 0.82 MAPT (0.49) POLBKMT2ALMNAALDH1A1
SCHEMBL4788023 0.81 TSHR (0.43) TSHRGFERPOLBKMT2ARXFP1
SCHEMBL4784036 0.81 TSHR (0.67) TSHRGFERPOLBRXFP1LMNA
SCHEMBL4787284 0.80 TSHR (0.52) TSHRGFERPOLBKMT2ARXFP1

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