SCHEMBL19996893

SCHEMBL19996893

O=C(O)c1cc(-c2ccc(I)cc2)[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
HCAR2 Q8TDS4 11/20 0.46
DAO P14920 1/20 0.46
TNIK Q9UKE5 1/20 0.45
CYTH3 O43739 1/20 0.42
BTK Q06187 1/20 0.42
EPN1 Q9Y6I3 1/20 0.42
HCAR3 P49019 1/20 0.42
TPMT P51580 1/20 0.39
ALPL P05186 2/20 0.39
ALPI P09923 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL70360 0.86 CA12 (0.53) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL29019950 0.84 MEN1 (0.51) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL69492 0.84 MEN1 (0.58) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL1413913 0.83 NPC1 (0.55) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL1413993 0.83 HCAR2 (0.55) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL1413865 0.83 ALPL (0.53) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL1413926 0.83 MEN1 (0.54) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL70800 0.83 RAB9A (0.55) MEN1KMT2APOLBMAPTHCAR2
Hydrochloric Acid SCHEMBL1221862 0.82 MEN1 (0.57) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL3519352 0.81 MEN1 (0.55) MEN1KMT2APOLBMAPTHCAR2

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-9926308-B2 N-cyclopropyl-N-piperidinyl-amides, pharmaceutical compositions containing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-27 US disclosed