SCHEMBL3766976

SCHEMBL3766976

O=C1c2ccccc2C(=O)N1CCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
RAB9A P51151 8/20 0.44
NPC1 O15118 3/20 0.44
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.40
GLS O94925 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
GLA P06280 1/20 0.38
BRCA1 P38398 1/20 0.38

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
SCHEMBL290900 0.83 RAB9A (0.50) RAB9ANPC1HPGDNPSR1SMN1; SMN2
SCHEMBL3766974 0.80 RAB9A (0.40) CA1CA2RAB9ANPC1HPGD
SCHEMBL2904034 0.76 KMT2A (0.48) CA1CA2HPGDNPSR1SMN1; SMN2
SCHEMBL29366293 0.75 KMT2A (0.49) CA1CA2HPGDNPSR1SMN1; SMN2
SCHEMBL1470558 0.75 KMT2A (0.49) CA1CA2HPGDNPSR1SMN1; SMN2
SCHEMBL8690834 0.73 SMN1; SMN2 (0.52) RAB9AHPGDSMN1; SMN2MAPTTDP1
SCHEMBL8688303 0.73 SMN1; SMN2 (0.52) RAB9AHPGDSMN1; SMN2MAPTTDP1
SCHEMBL15432779 0.73 RAB9A (0.43) RAB9ANPC1HPGDNPSR1SMN1; SMN2
SCHEMBL7900307 0.73 SMN1; SMN2 (0.52) RAB9AHPGDSMN1; SMN2MAPTTDP1
SCHEMBL14015387 0.72 SMN1; SMN2 (0.54) RAB9ANPC1HPGDNPSR1SMN1; SMN2

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
WO-2010007363-A2 PREPARATION OF FLUORINE-LABELLED COMPOUNDS ISIS INNOVATION LIMITED (GB) 2010-01-21 WO disclosed