SCHEMBL5590830

SCHEMBL5590830

[c]1ccccc1N=Nc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.53
NPC1 O15118 8/20 0.53
RAB9A P51151 8/20 0.53
KMT2A Q03164 8/20 0.53
HSP90AA1 P07900 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL5590829 1.00 MEN1 (0.53) MEN1NPC1RAB9AKMT2AHSP90AA1
SCHEMBL3283287 0.80 MEN1 (0.75) MEN1NPC1RAB9AKMT2AHSP90AA1
SCHEMBL10017620 0.80 MEN1 (0.75) MEN1NPC1RAB9AKMT2AHSP90AA1
SCHEMBL8160672 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11776926 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL672173 0.77 ALDH1A1 (0.55) MEN1NPC1RAB9AKMT2AHSP90AA1
SCHEMBL1225987 0.77 ALDH1A1 (0.55) MEN1NPC1RAB9AKMT2AHSP90AA1
SCHEMBL148944 0.76 MEN1 (0.63) MEN1NPC1RAB9AKMT2AHSP90AA1
SCHEMBL148943 0.76 MEN1 (0.63) MEN1NPC1RAB9AKMT2AHSP90AA1
SCHEMBL10349716 0.74 MEN1 (0.73) MEN1NPC1RAB9AKMT2AHSP90AA1

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-1737644-A1 METHOD FOR WELDING TOGETHER PLASTIC PARTS WITH THE AID OF LASER RADIATION BASF AKTIENGESELLSCHAFT (DE) 2007-01-03 EP disclosed
WO-2005102672-A1 METHOD FOR WELDING TOGETHER PLASTIC PARTS WITH THE AID OF LASER RADIATION BASF AKTIENGESELLSCHAFT (DE) 2005-11-03 WO disclosed