SCHEMBL6650153

SCHEMBL6650153

COC(=O)C1=C[N]C(=O)c2c(F)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 2/20 0.36
MAPK14 Q16539 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
BDKRB1 P46663 2/20 0.35
PTPRC P08575 1/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL8086896 0.70 TSHR (0.42) TSHRCA1CA2CA7CA9
SCHEMBL1070351 0.65 CA12 (0.61) RAB9ATSHRCA1CA2CA7
SCHEMBL18259555 0.65 MAPT (0.52) NPC1RAB9ASLC6A4SLC6A3MAPT
SCHEMBL5775105 0.64 ALDH1A1 (0.59) TSHRHPGDMAPK1MAPTKMT2A
SCHEMBL29600613 0.64 MAOA (0.57)
SCHEMBL3375220 0.63 CA2 (0.46) NPC1RAB9ACA1CA2CA7
SCHEMBL26632152 0.63 SLC6A4 (0.45) NPC1RAB9ATSHRHPGDCA1
SCHEMBL13824070 0.63 SLC6A3 (0.53) NPC1RAB9ATSHRHPGDSLC6A4
SCHEMBL1586686 0.63 BDKRB1 (0.53) NPC1RAB9ACA1CA2CA7
SCHEMBL26632162 0.63 SLC6A3 (0.49) NPC1RAB9ATSHRHPGDSLC6A4

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-1478624-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2004-11-24 EP disclosed
WO-2003068743-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-08-21 WO disclosed