SCHEMBL21398985

SCHEMBL21398985

O=C(I)CNC(=O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
GAA P10253 2/20 0.56
HPGD P15428 2/20 0.56
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
ALDH1A1 P00352 4/20 0.54
ATM Q13315 1/20 0.54
LMNA P02545 1/20 0.54
EPHX2 P34913 1/20 0.53
CNR2 P34972 1/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 1/20 0.53
CNR1 P21554 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
PKM P14618 1/20 0.53
KCNH2 Q12809 1/20 0.51

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
Phenaceturic Acid SCHEMBL196523 0.84 ATM (0.62) KMT2AMEN1HDAC8HDAC6GAA
Phenaceturic Acid SCHEMBL14126285 0.84 ATM (0.62) KMT2AMEN1HDAC8HDAC6GAA
SCHEMBL11034177 0.84 HDAC8 (0.65) KMT2AMEN1HDAC8HDAC6GAA
SCHEMBL1454495 0.82 MEN1 (0.63) KMT2AMEN1HDAC8HDAC6GAA
SCHEMBL11288698 0.81 ATM (0.59) KMT2AMEN1HDAC8HDAC6GAA
SCHEMBL7769256 0.81 KMT2A (0.57) KMT2AMEN1HDAC8HDAC6GAA
SCHEMBL5102819 0.81 KMT2A (0.57) KMT2AMEN1HDAC8HDAC6GAA
SCHEMBL7769258 0.81 KMT2A (0.57) KMT2AMEN1HDAC8HDAC6GAA
SCHEMBL22559999 0.80 MEN1 (0.61) KMT2AMEN1HDAC8HDAC6GAA
SCHEMBL5848410 0.79 MAPT (0.56) KMT2AMEN1HDAC8HDAC6GAA

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-2019182942-A1 TYROSINE-SPECIFIC FUNCTIONALIZED INSULIN AND INSULIN ANALOGS MERCK SHARP & DOHME CORP. (US) 2019-09-26 WO disclosed