SCHEMBL1461967

SCHEMBL1461967

O=C(OC1=CCc2c1ccc1c2ccc2ccccc21)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGES O14684 3/20 0.37
USP2 O75604 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
JAK2 O60674 1/20 0.36
ESR1 P03372 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ESR2 Q92731 1/20 0.36
HPRT1 P00492 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
PPARG P37231 1/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 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
SCHEMBL19972850 0.83 KMT2A (0.51) KMT2AMAPTMEN1HSD17B10ESR1
SCHEMBL25239580 0.81 ALDH1A1 (0.40) KMT2AMAPTMEN1USP2SMN1; SMN2
SCHEMBL15903547 0.79 HPRT1 (0.44) KMT2AMAPTMEN1TDP1USP2
SCHEMBL16369606 0.78 NPC1 (0.34) MAPTSMN1; SMN2NPSR1HPGDLMNA
SCHEMBL15903864 0.76 NCEH1 (0.39) KMT2AMAPTMEN1TDP1USP2
SCHEMBL19972854 0.76 HSD11B1 (0.37) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL19972848 0.76 L3MBTL1 (0.36) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL28825903 0.76 MAPT (0.36) KMT2AMAPTMEN1TDP1PTGES
SCHEMBL15903797 0.74 HPRT1 (0.41) KMT2AMAPTMEN1TDP1USP2
SCHEMBL1461844 0.73 HPRT1 (0.50) KMT2AMAPTMEN1TDP1USP2

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-2011029639-A2 COMPOUNDS AND METHODS FOR TREATING NEOPLASIA MEDEXIS S.A. (GR) 2011-03-17 WO disclosed