SCHEMBL7787172

SCHEMBL7787172

C1=NN(c2ccccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.46
ALOX5 P09917 1/20 0.44
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
KDM4E B2RXH2 5/20 0.41
POLB P06746 1/20 0.41
CRBN Q96SW2 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 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
SCHEMBL10979271 0.76 SLC6A7 (0.35) TP53
SCHEMBL13583262 0.75 KDM4E (0.38) KDM4EPOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL44773 0.71 TP53 (0.48) ALOX5KDM4EMEN1CYP3A4HPGD
SCHEMBL15416016 0.71 PLD1 (0.47) PLD1ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL15800694 0.70 PLD1 (0.73) PLD1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21353591 0.70
SCHEMBL29857922 0.70 PLD1 (0.73) PLD1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4065717 0.69 PLD1 (0.55) PLD1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11194377 0.69 HRH3 (0.50) KDM4EALDH1A1SMN1; SMN2USP2CYP3A4
SCHEMBL1266147 0.68 PLD1 (0.63) PLD1GRIN2DGRIN3BGRIN1GRIN2A

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
JP-2001083097-A ZINC ION FLUORESCENT SENSOR AGENCY OF IND SCIENCE & TECHNOL 2001-03-30 JP disclosed