SCHEMBL9603839

SCHEMBL9603839

O=C(O)c1cc2ccccc2nc1-c1ncc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
CSNK1A1 P48729 1/20 0.44
TYRO3 Q06418 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MTOR P42345 1/20 0.44
ADK P55263 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
MGAM O43451 2/20 0.42
ADRA2A P08913 2/20 0.41
IKBKB O14920 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 2/20 0.38

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
SCHEMBL8807038 0.81 SMN1; SMN2 (0.56) SMN1; SMN2TSHRKDM4EALDH1A1MGAM
SCHEMBL30979447 0.77 ADRA2A (0.46) SMN1; SMN2TSHRCSNK1A1TYRO3DYRK1B
SCHEMBL3912410 0.77 PDE10A (0.56) SMN1; SMN2TSHRKDM4EALDH1A1MGAM
SCHEMBL5458072 0.75 DHODH (0.54) SMN1; SMN2TSHRKDM4EALDH1A1IKBKB
SCHEMBL7397500 0.74 KDM4E (0.65) SMN1; SMN2TSHRCSNK1A1TYRO3DYRK1B
SCHEMBL6824177 0.74 MTOR (0.54) CSNK1A1TYRO3DYRK1BKDM4EALDH1A1
SCHEMBL8521039 0.73 NPC1 (0.63) SMN1; SMN2TSHRKDM4EALDH1A1MGAM
SCHEMBL9065016 0.72 TSHR (0.52) SMN1; SMN2TSHRKDM4EALDH1A1NISCH
SCHEMBL9804671 0.72 MTOR (0.52) SMN1; SMN2CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL30965100 0.72 CSNK1A1 (0.73) TSHRCSNK1A1TYRO3DYRK1BKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61280404-A None JP disclosed
EP-0537318-A1 NEW NON-HYGROSCOPIC MONO-AMMONIUM SALTS. ALKALOIDA VEGYESZETI GYAR (HU) 1993-04-21 EP disclosed
WO-1992018513-A1 NEW NON-HYGROSCOPIC MONO-AMMONIUM SALTS ALKALOIDA VEGYÉSZETI GYÁR RT. (HU) 1992-10-29 WO disclosed
JP-S61280404-A HERBICIDAL COMPOSITION SUMITOMO CHEM CO LTD 1986-12-11 JP disclosed