SCHEMBL8987632

SCHEMBL8987632

CN(C)CCCNC(=O)c1ccc2[nH]c(-c3ccc(NC=O)cc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TLR9 Q9NR96 2/20 0.47
TLR8 Q9NR97 2/20 0.47
TLR7 Q9NYK1 2/20 0.47
FLT3 P36888 2/20 0.46
CHEK2 O96017 1/20 0.44
TET3 O43151 1/20 0.44
TET2 Q6N021 1/20 0.44
TET1 Q8NFU7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PRMT1 Q99873 1/20 0.43
PRSS12 P56730 1/20 0.43
MAPK14 Q16539 1/20 0.41

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
SCHEMBL21018440 0.86 KDM4E (0.54) KDM4EHPGDALDH1A1HSD17B10TLR9
Hydrochloric Acid SCHEMBL7471438 0.84 KDM4E (0.45) KDM4EHPGDALDH1A1HSD17B10TLR9
SCHEMBL8987601 0.83 MMP2 (0.50) KDM4EHPGDALDH1A1HSD17B10TLR9
SCHEMBL20982653 0.83 CHEK2 (0.61) KDM4EHPGDALDH1A1HSD17B10FLT3
Hydrochloric Acid SCHEMBL8987782 0.81 KDM4E (0.42) KDM4EFLT3CHEK2POLBRAB9A
SCHEMBL21017224 0.81 PRSS12 (0.49) KDM4EHPGDALDH1A1HSD17B10TLR9
SCHEMBL20982731 0.81 CHEK2 (0.59) KDM4EHPGDALDH1A1HSD17B10FLT3
SCHEMBL21017891 0.81 KDM4E (0.49) KDM4EHPGDALDH1A1HSD17B10TLR9
SCHEMBL21017865 0.80 PRSS12 (0.51) KDM4EHPGDALDH1A1HSD17B10TLR9
SCHEMBL21017885 0.80 PRSS12 (0.51) KDM4EHPGDALDH1A1HSD17B10TLR9

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-0719765-A2 Phenylbenzimidazole derivatives MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-03 EP disclosed