SCHEMBL28033893

SCHEMBL28033893

S=C(Nc1ccccc1)Nn1cnnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
MAPT P10636 6/20 1.00
HPGD P15428 3/20 1.00
CYP3A4 P08684 1/20 0.57
TAS2R38 P59533 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KMT2A Q03164 2/20 0.56
GAA P10253 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
NOX1 Q9Y5S8 1/20 0.53
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL20774748 0.82 MAPT (0.71) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL26622951 0.82 ALDH1A1 (0.71) ALDH1A1MAPTHPGDCYP3A4KMT2A
SCHEMBL27554657 0.80 MAPT (0.66) ALDH1A1MAPTHPGDCYP3A4TAS2R38
SCHEMBL10737831 0.78 POLB (0.70) ALDH1A1MAPTHPGDCYP3A4KMT2A
SCHEMBL20774650 0.76 ALDH1A1 (0.61) ALDH1A1MAPTHPGDCYP3A4KMT2A
SCHEMBL132620 0.75 ALDH1A1 (1.00) ALDH1A1MAPTCYP3A4TAS2R38HSD17B10
SCHEMBL9470190 0.73 ALDH1A1 (0.94) ALDH1A1MAPTCYP3A4TAS2R38HSD17B10
SCHEMBL8956322 0.73 ALDH1A1 (0.94) ALDH1A1MAPTCYP3A4TAS2R38HSD17B10
SCHEMBL26622953 0.72 ALDH1A1 (0.67) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL730314 0.71 ALDH1A1 (0.80) ALDH1A1MAPTCYP3A4TAS2R38HSD17B10

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
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed