SCHEMBL15712932

SCHEMBL15712932

CCc1cccc(C(=O)NNC(=O)[C@H](Nc2ccc(C#N)c(Cl)c2I)[C@H](C)O)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 3/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
METAP2 P50579 5/20 0.36
METAP1 P53582 4/20 0.36
MRGPRX4 Q96LA9 6/20 0.35
ROCK2 O75116 1/20 0.33
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 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
SCHEMBL15712953 0.82 AKR1C4 (0.39) KAT6ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1365903 0.80 CXCR1 (0.35) NPC1RAB9ACTSLCTSBCTSS
SCHEMBL1362965 0.79 AR (0.41) NPC1ALDH1A1RAB9AMETAP2METAP1
SCHEMBL1364488 0.79 AR (0.41) NPC1ALDH1A1RAB9AMETAP2METAP1
SCHEMBL1364617 0.79 METAP2 (0.43) ALDH1A1METAP2METAP1
SCHEMBL12306450 0.78 L3MBTL1 (0.35) NPC1RAB9ASMN1; SMN2CTSLCTSB
SCHEMBL1365002 0.78 CXCR1 (0.38) NPC1ALDH1A1RAB9ASMN1; SMN2CTSV
SCHEMBL12140312 0.78 CXCR1 (0.38) NPC1ALDH1A1RAB9ASMN1; SMN2CTSV
SCHEMBL12140344 0.78 CXCR1 (0.38) NPC1ALDH1A1RAB9ASMN1; SMN2CTSV
SCHEMBL12140241 0.78 CTSL (0.34) ALDH1A1SMN1; SMN2CTSLCTSBCTSS

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-2260028-B1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH INC (US) 2014-05-07 EP disclosed