SCHEMBL4737461

SCHEMBL4737461

O=C(COc1ccc2ccccc2c1)NCCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.78
KMT2A Q03164 4/20 0.78
HTT P42858 4/20 0.78
PPARG P37231 3/20 0.78
NCOA2 Q15596 3/20 0.78
NCOA1 Q15788 3/20 0.78
NCOA3 Q9Y6Q9 3/20 0.78
NPSR1 Q6W5P4 1/20 0.78
NR2E3 Q9Y5X4 1/20 0.78
NCOR2 Q9Y618 1/20 0.78
MAPT P10636 4/20 0.67
LMNA P02545 3/20 0.67
POLB P06746 3/20 0.67
RAB9A P51151 2/20 0.66
PTPN1 P18031 1/20 0.64
HPGD P15428 2/20 0.62
ABCB1 P08183 1/20 0.62
ABCG2 Q9UNQ0 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.59
PKM P14618 1/20 0.59

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
SCHEMBL4734648 0.91 HTT (0.72) MEN1KMT2AHTTPPARGNCOA2
SCHEMBL4781790 0.86 LSS (0.74) MEN1KMT2AHTTPPARGNCOA2
SCHEMBL4733214 0.85 MEN1 (0.88) MEN1KMT2AHTTPPARGNCOA2
SCHEMBL9770486 0.85 PTPN1 (0.78) MEN1KMT2ALMNAPOLBPTPN1
SCHEMBL4738845 0.84 MEN1 (0.85) MEN1KMT2AHTTPPARGNCOA2
SCHEMBL28650889 0.84 PTPN1 (0.61) MEN1KMT2AHTTPPARGNCOA2
SCHEMBL9265091 0.83 HPGD (0.81) KMT2AMAPTLMNAPOLBRAB9A
SCHEMBL4734772 0.83 MEN1 (0.83) MEN1KMT2AHTTPPARGNCOA2
SCHEMBL5573093 0.81 KMT2A (0.75) MEN1KMT2AHTTPPARGNCOA2
SCHEMBL4735803 0.81 KMT2A (0.74) MEN1KMT2AHTTPPARGNCOA2

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
WO-2008069518-A1 PHARMACEUTICAL COMPOSITION FOR CONTROLLING THE FUNCTION OF SPIHNGOSYLPHOSPHORYLCHOLINE AMOREPACIFIC CORPORATION (KR) 2008-06-12 WO claimed
WO-2008069518-A1 PHARMACEUTICAL COMPOSITION FOR CONTROLLING THE FUNCTION OF SPIHNGOSYLPHOSPHORYLCHOLINE AMOREPACIFIC CORPORATION (KR) 2008-06-12 WO disclosed