SCHEMBL4745402

SCHEMBL4745402

COc1ccc(Sc2ccc(S(=O)(=O)N3CC(C)OC(C)C3)c3nonc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 3/20 0.39
NPC1 O15118 1/20 0.39
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL4786482 0.91 TSHR (0.42) KMT2AALDH1A1LMNARECQLTSHR
SCHEMBL4788634 0.90 SMN1; SMN2 (0.48) KMT2AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL4743021 0.88 ALDH1A1 (0.42) KMT2AMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL4787708 0.86 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2HTTLMNARECQL
SCHEMBL4746866 0.84 HTT (0.48) KMT2AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL4788418 0.83 THRB (0.47) KMT2AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL4743057 0.83 ALDH1A1 (0.47) KMT2AALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL4746102 0.82 ACLY (0.44) KMT2AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL4787944 0.81 SMN1; SMN2 (0.48) KMT2AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL4746166 0.81 TSHR (0.43) KMT2AMAPTALDH1A1SMN1; SMN2HTT

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