SCHEMBL19987559

SCHEMBL19987559

COc1c(F)c(-c2ccc(OCc3ccccc3N(N)C(=O)NN)c(C)c2)nn1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
KDM4E B2RXH2 8/20 0.34
ALDH1A1 P00352 5/20 0.33
HPGD P15428 5/20 0.33
MAPK1 P28482 3/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 1/20 0.33
STAT3 P40763 1/20 0.33
STAT1 P42224 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 4/20 0.33
MAPT P10636 1/20 0.33
MMP1 P03956 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
SCHEMBL19987537 0.89 KDM4E (0.33) MRGPRX4KDM4EALDH1A1HPGDMAPK1
SCHEMBL19987585 0.87 HPGD (0.35) MRGPRX4S1PR1S1PR5KDM4EALDH1A1
SCHEMBL19987547 0.81 HPGD (0.35) MRGPRX4KDM4EALDH1A1HPGDKMT2A
SCHEMBL18831293 0.77 SLC22A12 (0.32) KDM4EALDH1A1MAPK1
SCHEMBL16273640 0.76 MRGPRX4 (0.34) MRGPRX4S1PR1S1PR5KDM4EALDH1A1
SCHEMBL19987563 0.76 MRGPRX4 (0.44) MRGPRX4ALDH1A1HPGDMAPK1LMNA
SCHEMBL19987543 0.74 MAOB (0.43) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL18767159 0.74 CD274 (0.37) MRGPRX4S1PR1S1PR5KDM4EALDH1A1
SCHEMBL19987586 0.73 MRGPRX4 (0.38) MRGPRX4KDM4EALDH1A1MAPK1KMT2A
SCHEMBL19987560 0.72 CD274 (0.35) MRGPRX4S1PR1S1PR5HPGDMMP1

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-3006440-B1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed