SCHEMBL3454669

SCHEMBL3454669

Cc1noc(CCc2ccccc2I)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.39
MAPT P10636 8/20 0.39
MEN1 O00255 6/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HTT P42858 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
BRD4 O60885 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL520852 0.81 SMN1; SMN2 (0.44) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL521887 0.74 TSHR (0.45) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL522589 0.73 ALDH1A1 (0.47) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL521563 0.73 ALDH1A1 (0.44) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL521703 0.71 RAB9A (0.54) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL6612124 0.70 MAPT (0.39) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL18625798 0.66 ALDH1A1 (0.34) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL10033894 0.65 KMT2A (0.39) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL27997934 0.65 TAAR1 (0.71) TAAR1ALDH1A1HPGD
SCHEMBL14986110 0.64 MEN1 (0.35) KMT2AMAPTMEN1NPC1RAB9A

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
EP-2196456-A1 A method for preparing sulfur-containing compounds Royal College of Surgeons in Ireland (IE) 2010-06-16 EP disclosed