SCHEMBL7364157

SCHEMBL7364157

Cn1c(CCc2nc3cc(NC(=N)N)ccc3[nH]2)nc2ccc(C(=O)NCCOc3c(C(=O)O)cccc3C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
F9 P00740 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 2/20 0.37
THRB P10828 1/20 0.37
TPSAB1 Q15661 2/20 0.36
TPSD1 Q9BZJ3 2/20 0.36
TPSG1 Q9NRR2 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL7126111 0.89 MAPT (0.40) MAPTHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL7069160 0.88 MAPT (0.44) MAPTHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL7072413 0.85 MAPT (0.43) MAPTHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL7067665 0.84 TPSAB1 (0.36) MAPTNPC1F9TPSAB1TPSD1
SCHEMBL7072410 0.83 MAPT (0.43) MAPTHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL7071781 0.82 F10 (0.42) MAPTALDH1A1NPC1TP53TPSAB1
SCHEMBL7068332 0.79 F2 (0.40) MAPTHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL7072722 0.78 MAPT (0.38) MAPTNPC1SMN1; SMN2F9TPSAB1
SCHEMBL7069757 0.78 MAPT (0.52) MAPTALDH1A1NPC1POLBTHRB
SCHEMBL7069773 0.75 F10 (0.41) MAPTNPC1TP53TPSAB1TPSD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 WO disclosed