SCHEMBL9872833

SCHEMBL9872833

CC(=O)NN(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
HTT P42858 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 2/20 0.40
NAPRT Q6XQN6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TLR9 Q9NR96 1/20 0.39
FBP1 P09467 1/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MITF O75030 1/20 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
SCHEMBL9616082 0.82 ALDH1A1 (0.42) ATMALDH1A1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL29026131 0.81 ALDH1A1 (0.41) ATMALDH1A1SMN1; SMN2L3MBTL1RAB9A
Acetic Acid SCHEMBL8462148 0.81 ATM (0.41) ATMHTTMTNR1AMTNR1BALDH1A1
SCHEMBL27140797 0.79 AKT1 (0.46) ATMALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL4104914 0.79 ALDH1A1 (0.37) ATMALDH1A1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL2937030 0.79 ALDH1A1 (0.41) ATMALDH1A1SMN1; SMN2L3MBTL1RAB9A
Methyl Alcohol SCHEMBL27709287 0.78 ATM (0.41) ATMALDH1A1SMN1; SMN2L3MBTL1RAB9A
Hydrochloric Acid SCHEMBL11383310 0.77 MEN1 (0.41) ATMHTTALDH1A1SMN1; SMN2L3MBTL1
Acetic Acid SCHEMBL27805392 0.76 ATM (0.38) ATMHTTMTNR1AMTNR1BALDH1A1
SCHEMBL27921751 0.75 TP53 (0.46) ATMSMN1; SMN2L3MBTL1RAB9AMEN1

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
JP-3122169-A None JP disclosed
JP-H03122169-A PREPARATION OF N' 1-SUBSTITUTED-P-PHENYLENEDIAMINE AND INTERMEDIATE PRODUCT HANS SCHWARZKOPF GMBH 1991-05-24 JP disclosed