SCHEMBL13634180

SCHEMBL13634180

O=C(NC1CCCCC1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
RAB9A P51151 4/20 0.61
NPC1 O15118 3/20 0.61
LMNA P02545 2/20 0.61
KDM4E B2RXH2 2/20 0.61
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
GAA P10253 2/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CTSD P07339 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL13163089 0.95 ALDH1A1 (0.61) ALDH1A1RAB9ANPC1LMNAKDM4E
SCHEMBL31542074 0.92 ALDH1A1 (0.65) ALDH1A1KDM4EHTTGAAMEN1
SCHEMBL1670667 0.92 ALDH1A1 (0.65) ALDH1A1KDM4EHTTGAAMEN1
SCHEMBL14511306 0.87 ALDH1A1 (0.57) ALDH1A1RAB9ANPC1LMNAKDM4E
SCHEMBL4959067 0.87 ALDH1A1 (0.59) ALDH1A1RAB9ANPC1KDM4EHTT
SCHEMBL4959078 0.87 ALDH1A1 (0.59) ALDH1A1RAB9ANPC1KDM4EHTT
SCHEMBL13162530 0.87 ALDH1A1 (0.59) ALDH1A1RAB9ANPC1KDM4EHTT
SCHEMBL15888546 0.86 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL13634257 0.86 ALDH1A1 (0.58) ALDH1A1RAB9ANPC1KDM4EMEN1
SCHEMBL13634235 0.85 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1KDM4EHTT

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