SCHEMBL8356405

SCHEMBL8356405

N=C(N)NC[CH]c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
F12 P00748 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.36
BLM P54132 1/20 0.35
IDO1 P14902 3/20 0.35
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2A6 P11509 1/20 0.34
KMT2A Q03164 2/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
C1S P09871 1/20 0.34
PRSS3 P35030 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL6158944 0.81 MAOB (0.49) F10HTTIDO1
SCHEMBL6158948 0.81 MAOB (0.49) F10HTTIDO1
SCHEMBL5892429 0.80 BCAT2 (0.46) HTTALDH1A1CYP2A6KMT2ARECQL
SCHEMBL4986625 0.77 HTT (0.41) HTTALDH1A1CYP2A6KMT2A
SCHEMBL4989279 0.76 MAOB (0.40) HTTALDH1A1CYP2A6KMT2A
SCHEMBL4986583 0.73 L3MBTL1 (0.41) HTTALDH1A1KMT2A
SCHEMBL4987610 0.72 GAA (0.49) KMT2ATSHR
SCHEMBL7220251 0.72 MAOB (0.46) F3HTTIDO1ALDH1A1CYP2A6
SCHEMBL3338836 0.72 ALDH1A1 (0.42) ALDH1A1CYP2A6KMT2ARECQLTAAR1
SCHEMBL9665775 0.71 GAA (0.59) IDO1ALDH1A1PRSS1RECQLHSD17B10

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
CN-105916499-B 12-epi-pleuromutilins 纳布里瓦治疗股份公司 2020-02-18 CN claimed
WO-1999040882-A2 STEREOSELECTIVE Tc-99m LIGANDS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1999-08-19 WO disclosed