SCHEMBL805947

SCHEMBL805947

Bc1cccc(/C=N\N)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPP1R15A O75807 1/20 0.40
MELK Q14680 1/20 0.40
PPP1R15B Q5SWA1 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
SLC22A1 O15245 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
MAOA P21397 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL30275282 0.79 L3MBTL1 (0.59) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL6847216 0.79 L3MBTL1 (0.59) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL11959499 0.79 CA2 (0.33) MAOBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3972367 0.72 GRIN2D (0.42) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL379834 0.70 GRIN1 (0.57) NPSR1MAOBSMN1; SMN2GRIN2DGRIN3B
SCHEMBL379833 0.70 GRIN1 (0.57) NPSR1MAOBSMN1; SMN2GRIN2DGRIN3B
SCHEMBL11111610 0.69 NPSR1 (0.38) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL3697881 0.68 GAA (0.44) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL10613416 0.64 SLC22A1 (0.57) NPSR1MAOBSMN1; SMN2SLC22A1HTR1A
SCHEMBL11887770 0.64 SLC22A1 (0.57) NPSR1MAOBSMN1; SMN2SLC22A1HTR1A

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-2012037410-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed