SCHEMBL2192071

SCHEMBL2192071

O=C(O)c1cccc(SCc2cccc(-n3ccc4c(-c5ccccc5)cccc43)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.56
EHMT2 Q96KQ7 1/20 0.56
RORC P51449 1/20 0.42
ACMSD Q8TDX5 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
APEX1 P27695 1/20 0.40
PTGER1 P34995 6/20 0.39
CYP2C9 P11712 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
ASH1L Q9NR48 1/20 0.38
ENPP2 Q13822 1/20 0.37
HTT P42858 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
SCHEMBL2193530 0.83 SETD7 (0.48) SETD7EHMT2ALDH1A1MEN1POLB
SCHEMBL2196761 0.81 SETD7 (0.81) SETD7EHMT2RORCNPC1ALDH1A1
SCHEMBL2192050 0.79 ALDH1A1 (0.55) SETD7EHMT2SMN1; SMN2NPC1CYP2C9
SCHEMBL2196465 0.78 SETD7 (0.51) SETD7EHMT2RORCASH1L
SCHEMBL2192864 0.78 SETD7 (0.68) SETD7EHMT2RORCPOLBMAPT
SCHEMBL2192654 0.76 SMN1; SMN2 (0.45) SETD7EHMT2SMN1; SMN2NPC1CYP2C9
SCHEMBL2192171 0.76 SETD7 (0.60) SETD7EHMT2RORCNPC1ALDH1A1
SCHEMBL2194262 0.74 SETD7 (0.48) SETD7EHMT2RORCALDH1A1ASH1L
SCHEMBL12581571 0.73 APEX1 (0.65) ACMSDSMN1; SMN2NPC1APEX1CYP2C9
SCHEMBL3889076 0.73 APEX1 (0.65) ACMSDSMN1; SMN2APEX1CYP2C9MEN1

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-2011082098-A1 LYSINE AND ARGININE METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER THE ROCKEFELLER UNIVERSITY (US) 2011-07-07 WO disclosed