SCHEMBL7704542

SCHEMBL7704542

Cc1nc2ccccc2[nH]1.O=C(O)c1ccc2[nH]c(CN3CCOCC3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HSD17B10 Q99714 1/20 0.54
DRD4 P21917 7/20 0.50
HTT P42858 1/20 0.48
CACNA1G O43497 2/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ESR2 Q92731 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR2A P28223 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
DHODH Q02127 1/20 0.47
DRD3 P35462 3/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL6095028 0.83 HPGD (0.53) HPGDL3MBTL1ALDH1A1HSD17B10DRD4
SCHEMBL2026474 0.80 HPGD (1.00) HPGDL3MBTL1ALDH1A1HSD17B10DRD4
SCHEMBL10957904 0.79 HSD17B10 (0.54) HPGDL3MBTL1ALDH1A1HSD17B10KDM4E
SCHEMBL13833222 0.79 HPGD (0.97) HPGDL3MBTL1ALDH1A1HSD17B10DRD4
SCHEMBL6095031 0.78 MLLT1 (0.56) HPGDL3MBTL1ALDH1A1HSD17B10DRD4
SCHEMBL383213 0.76 DRD4 (0.77) HPGDALDH1A1DRD4HTTKDM4E
SCHEMBL6165371 0.75 F2 (0.58) HPGDALDH1A1KDM4EMAPTNPC1
SCHEMBL1106071 0.75 TDP1 (0.76) HPGDALDH1A1HSD17B10KDM4EMAPT
Hydrochloric Acid SCHEMBL7331906 0.73 TDP1 (0.73) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL8264513 0.73 FGFR1 (0.55) HPGDALDH1A1HTTKDM4EMAPT

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-2002092575-A1 BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2002-11-21 WO disclosed