SCHEMBL3905745

SCHEMBL3905745

O=C(/C=C/C1=CC=CC(O)(NS(=O)(=O)c2ccc(O)cc2)C1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
CYP3A4 P08684 2/20 0.42
HSPD1 P10809 2/20 0.42
HSPE1 P61604 2/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAOB P27338 4/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 4/20 0.40
CYP1B1 Q16678 2/20 0.40
ALDH2 P05091 1/20 0.40
CYP19A1 P11511 1/20 0.40
F3 P13726 1/20 0.40
MAOA P21397 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TYR P14679 1/20 0.39
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL3905749 1.00 KMT2A (0.42) KMT2ACYP3A4HSPD1HSPE1RAB9A
SCHEMBL3892779 0.89 TYR (0.40) KMT2ACYP3A4HSPD1HSPE1RAB9A
SCHEMBL3892774 0.89 TYR (0.40) KMT2ACYP3A4HSPD1HSPE1RAB9A
SCHEMBL3905743 0.82 KMT2A (0.43) KMT2ACYP3A4HSPD1HSPE1RAB9A
SCHEMBL3905738 0.82 KMT2A (0.43) KMT2ACYP3A4HSPD1HSPE1RAB9A
SCHEMBL3892109 0.81 KMT2A (0.42) KMT2ACYP3A4HSPD1HSPE1RAB9A
SCHEMBL27840781 0.77 KMT2A (0.42) KMT2ACYP3A4HSPD1HSPE1RAB9A
SCHEMBL3894992 0.76 KMT2A (0.41) KMT2ACYP3A4HSPD1HSPE1RAB9A
SCHEMBL3894990 0.76 KMT2A (0.41) KMT2ACYP3A4HSPD1HSPE1RAB9A
SCHEMBL3891796 0.74 MAPT (0.43) KMT2ACYP3A4MEN1MAPTCYP1B1

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
EP-2099440-A1 METHOD FOR SCREENING ANTI-CANCER COMPOUNDS INHIBITING FUNCTION OF TM4SF5 AND ANTI-CANCER COMPOSITION CONTAINING CHALCONE COMPOUNDS Seoul National University Industry Foundation (KR) 2009-09-16 EP claimed
WO-2008069608-A1 METHOD FOR SCREENING ANTI-CANCER COMPOUNDS INHIBITING FUNCTION OF TM4SF5 AND ANTI-CANCER COMPOSITION CONTAINING CHALCONE COMPOUNDS SEOUL NATIONALUNIVERSITY INDUSTRY FOUNDATION (KR) 2008-06-12 WO claimed