SCHEMBL1568340

SCHEMBL1568340

O=C(Cc1ccccc1F)NCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
RAB9A P51151 5/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
KDM4E B2RXH2 2/20 0.70
NPC1 O15118 1/20 0.70
LMNA P02545 5/20 0.69
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
HTT P42858 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
GAA P10253 2/20 0.57
MAPT P10636 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HPGD P15428 3/20 0.56
TAAR1 Q96RJ0 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL3945452 0.84 LMNA (0.62) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL392625 0.81 ALDH1A1 (0.82) ALDH1A1RAB9ANPC1LMNACA1
SCHEMBL5861356 0.79 ALDH1A1 (1.00) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL6962946 0.79 ALDH1A1 (0.58) ALDH1A1RAB9ANPC1LMNACA1
SCHEMBL28992287 0.79 ERCC1 (0.68) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL25046059 0.79 ALDH1A1 (0.65) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL4717861 0.79 CA12 (0.71) ALDH1A1RAB9ANPC1LMNACA1
SCHEMBL28992212 0.79 ALDH1A1 (1.00) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL28923083 0.78 LMNA (0.55) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL14662131 0.78 LMNA (0.52) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1

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-2307017-A1 COMPOUNDS WHICH CAN BE USED FOR THE TREATMENT OF CANCERS Cytomics Systems (FR) 2011-04-13 EP disclosed