SCHEMBL7753891

SCHEMBL7753891

Nc1ccc(NC(=O)CCc2ccccc2)c(C(=O)c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.57
HCAR2 Q8TDS4 2/20 0.57
RAB9A P51151 2/20 0.55
POLB P06746 2/20 0.55
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.48
DUSP3 P51452 1/20 0.48

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
SCHEMBL6546897 0.87 MEN1 (0.52) POLBMAPK1KDM4EALDH1A1MEN1
SCHEMBL7755341 0.82 MAPK1 (0.56) POLBMAPK1KDM4ESMN1; SMN2MAPT
SCHEMBL7754151 0.81 LMNA (0.66) ABCB1RAB9APOLBMAPK1NPC1
SCHEMBL7754219 0.80 MEN1 (0.51) MEN1KMT2A
SCHEMBL7752909 0.79 MAPT (0.68) MAPK1SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL6545433 0.79 MAPK1 (0.58) POLBMAPK1MAPTHTTALDH1A1
SCHEMBL6546175 0.79 PKM (0.55) ALDH1A1LMNA
SCHEMBL7753274 0.79 SMN1; SMN2 (0.55) POLBMAPK1KDM4ESMN1; SMN2MAPT
SCHEMBL7753921 0.78 MEN1 (0.54) HCAR2MEN1KMT2A
SCHEMBL6812211 0.78 CASP1 (0.57) POLBSMN1; SMN2HDAC3HDAC1HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068176-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS Jomaa, Hassan (DE) 2001-01-17 EP disclosed
WO-2000027803-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS JOMAA, HASSAN (DE) 2000-05-18 WO disclosed