SCHEMBL6258385

SCHEMBL6258385

O=C(NCC(CS(=O)(=O)CC1CCCC1)OP(=O)(O)O)Nc1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.55
PRMT3 O60678 2/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
HTR1E P28566 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR3 Q99500 1/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
RECQL P46063 1/20 0.38
EPHX2 P34913 3/20 0.37
POLB P06746 2/20 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
SCHEMBL6262770 0.87 METAP2 (0.43) EPHX1KMT2ARAB9A
SCHEMBL6272074 0.81 GAA (0.42) LMNAMEN1KMT2ACA2CA12
SCHEMBL6261898 0.81 HPGD (0.43) EPHX1LMNAHTTNPC1MAPT
SCHEMBL6260409 0.80 EPHX1 (0.54) EPHX1PRMT3LMNAMEN1HTR1E
SCHEMBL6263047 0.80 SMN1; SMN2 (0.42) LMNACA2NPC1RAB9A
SCHEMBL6261603 0.79 BCHE (0.43) EPHX1KMT2ARAB9ACYP1A2
SCHEMBL6262590 0.79 EPHX2 (0.45) EPHX1MEN1KMT2ACA2CA12
SCHEMBL6260997 0.77 EPHX2 (0.41) MEN1KMT2ANPC1RAB9AEPHX2
SCHEMBL6257451 0.75 MMP1 (0.33) CA2CA12CA1CA9
SCHEMBL6262023 0.75 MMP1 (0.33) MEN1KMT2ACA2CA12CA1

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-2005080406-A2 COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2005-09-01 WO disclosed