SCHEMBL13634257

SCHEMBL13634257

C[C@H]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CTSD P07339 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
TAS1R3 Q7RTX0 2/20 0.52
TAS1R1 Q7RTX1 2/20 0.52
TAS1R2 Q8TE23 2/20 0.52
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL31542074 0.93 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1CTSDL3MBTL1
SCHEMBL1670667 0.93 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1CTSDL3MBTL1
SCHEMBL4959067 0.87 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL4959078 0.87 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL13162530 0.87 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL13163089 0.87 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL15888546 0.86 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1CTSDL3MBTL1
SCHEMBL13634180 0.86 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL13634235 0.85 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL13162533 0.85 MAPT (0.60) ALDH1A1KMT2AMEN1CTSDL3MBTL1

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed