SCHEMBL22018079

SCHEMBL22018079

O=C(O)CCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCC(=O)O)C5=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
RGS12 O14924 1/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.58
PABPC1 P11940 1/20 0.58
HTT P42858 1/20 0.58
RECQL P46063 1/20 0.58
RAB9A P51151 1/20 0.58
STAT3 P40763 1/20 0.57
HIF1A Q16665 1/20 0.57
GAA P10253 1/20 0.55
CASP1 P29466 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TERT O14746 6/20 0.53
PTGS1 P23219 4/20 0.50
PTGS2 P35354 4/20 0.50

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
SCHEMBL22019037 0.98 SMN1; SMN2 (0.62) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8200784 0.89 MEN1 (0.67) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL5358249 0.89 MEN1 (0.73) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL17929978 0.85 MEN1 (0.54) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL14309279 0.82 KDM4E (0.86) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12019210 0.81 TERT (0.64) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12019214 0.81 TERT (0.68) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL14023167 0.81 NPSR1 (0.60) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL31018799 0.81 MEN1 (0.64) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL14302831 0.81 KDM4E (0.83) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

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
WO-2020100781-A1 COLORING COMPOSITION 住友化学株式会社 2020-05-22 WO disclosed