SCHEMBL6829329

SCHEMBL6829329

O=Cc1cccc(C(=O)Nc2ccc(F)c(F)c2F)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TERT O14746 11/20 0.48
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL6831113 0.76 MAPT (0.62) TERTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL6828985 0.75 SMN1; SMN2 (0.51) NPC1POLBHTTRAB9ASMN1; SMN2
SCHEMBL6829662 0.75 TERT (0.50) TERTALDH1A1MAPT
SCHEMBL6921427 0.75 NPC1 (0.52) TERTNPC1POLBHTTRAB9A
SCHEMBL6829663 0.74 TERT (0.59) TERTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL22281464 0.73 TERT (0.53) TERTPOLB
SCHEMBL6831025 0.72 RAB9A (0.60) TERTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL6831144 0.72 KMT2A (0.55) NPC1HTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6831237 0.70 TERT (0.58) TERTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL12374823 0.69 TERT (0.57) TERTPOLB

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-2004037808-A1 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2004-05-06 WO disclosed