SCHEMBL28185992

SCHEMBL28185992

CC(C)(C)ONC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
MAPT P10636 8/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
HTT P42858 1/20 0.52
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CES1 P23141 1/20 0.50
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL5944003 0.82 PLG (0.55) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6651205 0.82 ALDH1A1 (0.62) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL3936798 0.81 MAPT (0.60) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL11747923 0.79 MAPK1 (0.58) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL15588625 0.78 MAPT (0.55) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL1857541 0.78 MAPK1 (0.56) RAB9AMAPTKMT2AMEN1HTT
SCHEMBL7482333 0.78 ALDH1A1 (0.63) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL7481751 0.78 ALDH1A1 (0.55) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6119612 0.78 SRD5A2 (0.48) MAPTKMT2AMEN1TSHRALDH1A1
SCHEMBL4490079 0.78 MPO (0.53) RAB9ANPC1MAPTKMT2AMEN1

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
CN-107406385-A Process for producing diamine compound and intermediate thereof 日产化学工业株式会社 2017-11-28 CN disclosed