SCHEMBL5804085

SCHEMBL5804085

Nc1[nH]cnc1C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.59
POLB P06746 1/20 0.59
ALDH1A1 P00352 6/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 3/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 4/20 0.45
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.42
PBRM1 Q86U86 1/20 0.42
MEN1 O00255 1/20 0.41
TTBK1 Q5TCY1 1/20 0.40
TTBK2 Q6IQ55 1/20 0.40
BRD4 O60885 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL5803132 0.83 LTA4H (0.44) HSD17B10POLBALDH1A1MAPK1HTT
SCHEMBL5805872 0.83 NPC1 (0.49) HSD17B10POLBALDH1A1MAPK1HTT
SCHEMBL3258892 0.82 GDA (0.43) HSD17B10POLBALDH1A1MAPK1SMN1; SMN2
SCHEMBL5806328 0.79 CA1 (0.50) HSD17B10ALDH1A1MAPK1HTTHPGD
SCHEMBL28929154 0.77 POLB (0.50) HSD17B10POLBALDH1A1MAPK1HTT
SCHEMBL4845428 0.77 POLB (0.47) HSD17B10POLBALDH1A1MAPK1HTT
SCHEMBL71570 0.77
SCHEMBL11665629 0.76 POLB (0.56) HSD17B10POLBALDH1A1MAPK1HTT
SCHEMBL5805141 0.73 ADORA1 (0.49) HSD17B10ALDH1A1MAPK1HTTHPGD
SCHEMBL4845432 0.73 CDK2 (0.53) HSD17B10POLBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006084835-A1 N-(3-(IMIDAZO [1,5-A]PYRIMIDIN-4-YL)PHENYL]-SULFONAMIDES AND N-[3-(IMIDAZO[1,5-A]PYRIMIDIN-4-YL)-PHENYL]-CARBOXAMIDES AND THEIR USE AS GABAA RECEPTOR MODULATORS FERRER INTERNACIONAL, S. A. (ES) 2006-08-17 WO claimed
WO-2006084835-A1 N-(3-(IMIDAZO [1,5-A]PYRIMIDIN-4-YL)PHENYL]-SULFONAMIDES AND N-[3-(IMIDAZO[1,5-A]PYRIMIDIN-4-YL)-PHENYL]-CARBOXAMIDES AND THEIR USE AS GABAA RECEPTOR MODULATORS FERRER INTERNACIONAL, S. A. (ES) 2006-08-17 WO disclosed