Nitrogen

Nitrogen

SCHEMBL28021202

Cc1ccccc1CC(=O)OC(C)(C)C.N#N

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
CTBP2 P56545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SHBG P04278 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL12318344 0.97 MTNR1A (0.48) MTNR1AMTNR1BCTBP2L3MBTL1MAOB
SCHEMBL9863289 0.86 MTNR1A (0.52) MTNR1AMTNR1BL3MBTL1MEN1KMT2A
SCHEMBL7170439 0.81 MTNR1A (0.51) MTNR1AMTNR1BL3MBTL1MEN1MAPT
SCHEMBL16410214 0.81 MTNR1A (0.44) MTNR1AMTNR1BL3MBTL1MAOBSMN1; SMN2
SCHEMBL28212143 0.80 CYP4F2 (0.47) CTBP2MAOBLMNATSHRHPGD
SCHEMBL29852860 0.79 AKR1B1 (0.55) MTNR1AMTNR1BL3MBTL1
SCHEMBL5370276 0.79 AKR1B1 (0.55) MTNR1AMTNR1BL3MBTL1
SCHEMBL28267690 0.78 CTBP2 (0.53) CTBP2MAOBMEN1MAPTKMT2A
SCHEMBL23241571 0.78 MTNR1A (0.51) MTNR1AMTNR1BL3MBTL1MEN1KMT2A
SCHEMBL16355933 0.78 MTNR1A (0.47) MTNR1AMTNR1BL3MBTL1MEN1KMT2A

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-104744188-A Polyfluorinated aromatic hydrocarbon alkylation method UNIV BEIJING 2015-07-01 CN disclosed