SCHEMBL8518157

SCHEMBL8518157

Nc1nc2c(C3NCCS3)cccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.40
ALDH1A1 P00352 2/20 0.36
MASP2 O00187 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AOC3 Q16853 1/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDK5 Q00535 7/20 0.35
CDK5R1 Q15078 7/20 0.35
ULK1 O75385 1/20 0.33
CDK7 P50613 1/20 0.33
PRKCE Q02156 1/20 0.33
CAMK2G Q13555 1/20 0.33
DYRK1A Q13627 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
MAP3K19 Q56UN5 1/20 0.33
CAMKK1 Q8N5S9 1/20 0.33

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
SCHEMBL30464911 0.69 MAPT (0.40) ALDH1A1MAPTTDP1SMN1; SMN2ERN1
SCHEMBL3287778 0.66 MEN1 (0.58) NUDT1ALDH1A1MASP2MEN1KMT2A
SCHEMBL30291834 0.66 MEN1 (0.58) NUDT1ALDH1A1MASP2MEN1KMT2A
SCHEMBL30683723 0.65 ERN1 (0.48) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL7744554 0.64 MAPT (0.53) ALDH1A1MAPTTDP1SMN1; SMN2ERN1
SCHEMBL8951248 0.64 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL27288856 0.64 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL6828622 0.64 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL215756 0.63 NUDT1 (0.70) NUDT1ALDH1A1MASP2MEN1KMT2A
SCHEMBL17276019 0.63 NUDT1 (0.51) NUDT1ALDH1A1MASP2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001866-A ADMINISTERING A COMPOUND WHICH IS AN INHIBITOR OF THE ENZYME 15-LIPOXYGENASE (15-LO). WARNER-LAMBERT COMPANY (US) 1999-12-14 US disclosed
US-5972980-A ADMINISTERING AN LIPOXYGENASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-10-26 US disclosed
WO-1997012613-A1 METHOD FOR TREATING AND PREVENTING INFLAMMATION AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1997-04-10 WO disclosed