SCHEMBL4745397

SCHEMBL4745397

COc1cccc(Sc2ccc(S(=O)(=O)N3CCCCC3)c3nonc23)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 2/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
CLK1 P49759 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4746866 0.88 HTT (0.48) KMT2AMEN1SMN1; SMN2PKMMAPT
SCHEMBL4788023 0.86 TSHR (0.43) KMT2AMEN1ALOX15MAPTCYP1A2
SCHEMBL4746067 0.86 KMT2A (0.46) KMT2AMEN1ALOX15MAPTCYP1A2
SCHEMBL4743021 0.85 ALDH1A1 (0.42) KMT2AMEN1SMN1; SMN2ALOX15MAPT
SCHEMBL4784226 0.85 KMT2A (0.46) KMT2AMEN1SMN1; SMN2ALOX15MAPT
SCHEMBL8161152 0.84 TP53 (0.45) KMT2AMEN1SMN1; SMN2MAPTCYP1A2
SCHEMBL4786646 0.81 AKR1C3 (0.41) KMT2AMEN1PKMMAPK1ALDH1A1
SCHEMBL4745419 0.81 MCOLN3 (0.46) KMT2AMEN1CYP3A4CYP2C19MCOLN3
SCHEMBL4785277 0.80 KMT2A (0.42) KMT2AMEN1SMN1; SMN2MAPTCYP1A2
SCHEMBL8153861 0.79 ACLY (0.45) KMT2AMEN1SMN1; SMN2ALOX15MAPT

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