SCHEMBL21159080

SCHEMBL21159080

CCOC(=O)c1cc(I)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 2/20 0.40
NR1H2 P55055 1/20 0.40

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
SCHEMBL1800827 0.86 HCAR2 (0.58) LMNAHCAR2POLBL3MBTL1ALDH1A1
SCHEMBL9454253 0.81 CA12 (0.46) LMNAALDH1A1CA12CA1CA2
SCHEMBL20888388 0.80 NPC1 (0.44) LMNAPOLBALDH1A1CA12CA1
SCHEMBL31124057 0.79 MAPT (0.49) LMNAPOLBALDH1A1CA12CA1
SCHEMBL18506410 0.79 CA12 (0.41) LMNAPOLBL3MBTL1ALDH1A1CA12
SCHEMBL368680 0.79 ALDH1A1 (0.43) LMNAPOLBALDH1A1CA12CA1
SCHEMBL2184554 0.79 GAA (0.44) LMNAALDH1A1CA12CA1CA2
SCHEMBL14770789 0.79 RAB9A (0.45) LMNAL3MBTL1ALDH1A1CA12CA1
SCHEMBL12852737 0.78 NPC1 (0.45) LMNAPOLBALDH1A1CA12CA1
SCHEMBL8118231 0.78 CHRNA4 (0.45) LMNAPOLBL3MBTL1ALDH1A1CA12

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-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed