SCHEMBL7398024

SCHEMBL7398024

O[C]1N=c2ccccc2=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
NPC1 O15118 3/20 0.39
POLB P06746 3/20 0.39
RAB9A P51151 2/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA14 Q9ULX7 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 2/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
FYN P06241 1/20 0.39
MMP9 P14780 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
SCHEMBL21316061 0.72 MAPT (0.41) MAPTALDH1A1TDP1NPC1POLB
SCHEMBL11011716 0.67 MEN1 (0.42) MAPTALDH1A1TDP1NPC1POLB
SCHEMBL900222 0.67 G6PD (0.33) MAPTTDP1NPC1POLBRAB9A
SCHEMBL9541649 0.67 FLT1 (0.40) MAPTALDH1A1TDP1NPC1POLB
SCHEMBL1696827 0.67 ALDH1A1 (0.30) MAPTALDH1A1HPGDHIF1AHSD17B10
SCHEMBL3499657 0.67 CASP1 (0.39) MAPTALDH1A1TDP1NPC1POLB
SCHEMBL211306 0.67 TSHR (0.39) ALDH1A1TDP1NPC1POLBRAB9A
SCHEMBL6094001 0.67 MAPT (0.30) MAPT
SCHEMBL858858 0.67 MAPT (0.34) MAPTALDH1A1TDP1NPC1L3MBTL1
SCHEMBL37950 0.67 MEN1 (0.35) MAPTTDP1NPC1POLBRAB9A

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
WO-2001042224-A1 CARBOXYAMIDO DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2001-06-14 WO claimed
WO-2001042224-A1 CARBOXYAMIDO DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2001-06-14 WO disclosed
WO-2001042224-A1 CARBOXYAMIDO DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2001-06-14 WO disclosed