SCHEMBL17677271

SCHEMBL17677271

N=C/C=C(\Nc1ccccc1)c1nn(-c2cccc(Sc3nc4ccccc4[nH]3)c2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
MPO P05164 2/20 0.38
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
RECQL P46063 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL13557965 0.83 MYC (0.37) MYCSMN1; SMN2MAPTRXFP1POLB
SCHEMBL13557967 0.82 RXFP1 (0.40) SMN1; SMN2MAPTRXFP1POLBMEN1
SCHEMBL16372510 0.80 MEN1 (0.35) MYCSMN1; SMN2MAPTMPORECQL
SCHEMBL13559054 0.78 CYP2C9 (0.55) MAPTRXFP1POLBMEN1KMT2A
SCHEMBL17677289 0.78 POLB (0.45) MAPTRXFP1POLBMEN1KMT2A
SCHEMBL13259624 0.78 POLB (0.58) MAPTRXFP1POLBMEN1KMT2A
SCHEMBL13559047 0.77 KMT2A (0.60) MAPTRXFP1POLBMEN1KMT2A
SCHEMBL13559050 0.77 POLB (0.44) MAPTRXFP1POLBMEN1KMT2A
SCHEMBL518816 0.75 ALDH1A1 (0.51) MYCSMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL13559107 0.75 ALDH1A1 (0.53) MAPTRXFP1POLBMEN1KMT2A

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
EP-3006031-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2016-04-13 EP disclosed