SCHEMBL8109418

SCHEMBL8109418

N=C(N)c1ccccc1-c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LTA4H P09960 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
TDO2 P48775 1/20 0.39
AR P10275 1/20 0.38
PLAU P00749 1/20 0.36
C1S P09871 1/20 0.36
HCRTR1 O43613 6/20 0.36
HCRTR2 O43614 6/20 0.36
HPN P05981 1/20 0.36
LTK P29376 1/20 0.36
CDK5 Q00535 1/20 0.36

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
SCHEMBL6246471 0.81 MAPT (0.42) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL3559657 0.81 ALDH1A1 (0.54) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL11678330 0.78 HCRTR1 (0.44) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL752611 0.77 F2 (0.48) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL932848 0.76 ALOX15 (0.53) MAPTKDM4EALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL6341904 0.75 BLM (0.50) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL995326 0.75 LTA4H (0.55) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL10495281 0.74 F2 (0.55) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL8578012 0.74 LTA4H (0.45) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL1023432 0.74 ALDH1A1 (0.42) MAPTKDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6020488-A Small molecule inhibition of RNA/ligand binding SCRIPTGEN PHARMACEUTICALS INC. (US) 2000-02-01 US disclosed
EP-0833824-A2 SMALL MOLECULE INHIBITION OF RNA/LIGAND BINDING SCRIPTGEN PHARMACEUTICALS, INC. (US) 1998-04-08 EP disclosed
US-5668165-A TREATMENT OF HIV INFECTIONS SCRIPTGEN PHARMACEUTICALS, INC. (US) 1997-09-16 US disclosed
WO-1996040668-A2 SMALL MOLECULE INHIBITION OF RNA/LIGAND BINDING SCRIPTGEN PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed