SCHEMBL7981094

SCHEMBL7981094

C1=C(Cc2cccs2)NCC(OCc2ccccc2)=C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.37
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
LTA4H P09960 1/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ADRA1D P25100 2/20 0.31
NSD2 O96028 1/20 0.31

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
SCHEMBL7995089 0.83 HTT (0.54) HTTL3MBTL1TDP1MAPTRAB9A
SCHEMBL7998680 0.80 HTT (0.48) HTTNPC1SMN1; SMN2LTA4H
SCHEMBL7998683 0.76 HTT (0.53) HTTLMNATSHRLTA4HEPHX2
SCHEMBL7992008 0.76 HTT (0.47) HTTL3MBTL1MAPTRAB9ANPC1
SCHEMBL7995327 0.75 HTT (0.46) HTTTDP1RAB9ALMNAMEN1
SCHEMBL7995324 0.70 HTT (0.55) HTTL3MBTL1TDP1MAPTRAB9A
SCHEMBL7995311 0.70 CALM1 (0.44) HTTL3MBTL1KDM4E
SCHEMBL28508353 0.69 L3MBTL1 (0.53) L3MBTL1TDP1MAPTRAB9ANPC1
SCHEMBL45228 0.66 LMNA (0.50) L3MBTL1TDP1RAB9ANPC1LMNA
SCHEMBL9825918 0.65 LMNA (0.49) L3MBTL1TDP1RAB9ANPC1LMNA

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-2001009129-A2 1H-PIRIDO[3, 4-B]INDOL-1-ONE DERIVATIVES NOVUSPHARMA S.P.A. (IT) 2001-02-08 WO disclosed