SCHEMBL7549451

SCHEMBL7549451

CC(C)(C)C(=O)C(C)(C)Cc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
FDPS P14324 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 5/20 0.45
TSHR P16473 1/20 0.45
PTPRA P18433 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL27875620 0.84 CYP1A2 (0.53) CYP1A2FDPSSMN1; SMN2ALDH1A1TSHR
SCHEMBL29694017 0.84 CYP1A2 (0.53) CYP1A2FDPSSMN1; SMN2ALDH1A1TSHR
SCHEMBL7887713 0.84 CYP1A2 (0.53) CYP1A2FDPSSMN1; SMN2ALDH1A1TSHR
SCHEMBL9092131 0.84 CYP1A2 (0.53) CYP1A2FDPSSMN1; SMN2ALDH1A1TSHR
SCHEMBL294785 0.84 CYP1A2 (0.53) CYP1A2FDPSSMN1; SMN2ALDH1A1TSHR
SCHEMBL7886018 0.81 CYP1A2 (0.50) CYP1A2FDPSSMN1; SMN2ALDH1A1TSHR
SCHEMBL5140898 0.79 CYP1A2 (0.48) CYP1A2FDPSSMN1; SMN2ALDH1A1NPC1
SCHEMBL3896340 0.76 FDPS (0.58) CYP1A2FDPSSMN1; SMN2ALDH1A1TSHR
SCHEMBL30858991 0.76 FDPS (0.58) CYP1A2FDPSSMN1; SMN2ALDH1A1TSHR
SCHEMBL75465 0.75 FDPS (0.52) CYP1A2FDPSSMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002046096-A1 METHOD FOR MAKING HYDRAZINE IN AQUEOUS SOLUTION FLUOROTECH, LLC (US) 2002-06-13 WO claimed
WO-2002046096-A1 METHOD FOR MAKING HYDRAZINE IN AQUEOUS SOLUTION FLUOROTECH, LLC (US) 2002-06-13 WO disclosed
WO-2002046096-A1 METHOD FOR MAKING HYDRAZINE IN AQUEOUS SOLUTION FLUOROTECH, LLC (US) 2002-06-13 WO disclosed