SCHEMBL4726375

SCHEMBL4726375

O=[C]Nc1ccc(Br)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.42
ALOX12 P18054 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
GRK2 P25098 1/20 0.40
RECQL P46063 1/20 0.40
CTDSP1 Q9GZU7 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
SCHEMBL3185380 0.80 NPC1 (0.42) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10465697 0.79 HSP90AA1 (0.41) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2096174 0.79 HTT (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1ALOX12
SCHEMBL3132939 0.76 KMT2A (0.47) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7523466 0.76 SIGMAR1 (0.44) LMNANPC1RAB9AALDH1A1HPGD
SCHEMBL7531861 0.76 MAPK1 (0.46) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7526970 0.76 KDM1A (0.39) RAB9ASMN1; SMN2TP53MAPTCA1
SCHEMBL19267221 0.74 LMNA (0.51) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6596973 0.73 MAOB (0.36) LMNASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL483384 0.72 LMNA (0.46) LMNANPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
WO-2008017840-A1 CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIOUS DISEASES MERLION PHARMACEUTICALS SA (CH) 2008-02-14 WO disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed