SCHEMBL9458183

SCHEMBL9458183

C=CCc1cccc(/C=N\NC(=N)C(=N)N/N=C\c2cccc(CC=C)c2O)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.62
MEN1 O00255 12/20 0.62
MAPT P10636 10/20 0.62
HTT P42858 9/20 0.62
KDM4E B2RXH2 8/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
LMNA P02545 7/20 0.62
ALOX12 P18054 2/20 0.62
ALDH1A1 P00352 3/20 0.60
TDP1 Q9NUW8 2/20 0.55
RAB9A P51151 2/20 0.55
TP53 P04637 1/20 0.55
CASP3 P42574 1/20 0.55
RECQL P46063 1/20 0.55
CASP7 P55210 1/20 0.55
MAPK1 P28482 1/20 0.55
PKM P14618 1/20 0.55
MTOR P42345 1/20 0.55
NPC1 O15118 1/20 0.54
GAA P10253 2/20 0.52

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
SCHEMBL17067838 0.85 MEN1 (0.65) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL21082987 0.85 MEN1 (0.65) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL17067839 0.85 KDM4E (0.63) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL21082988 0.85 MEN1 (0.65) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL10071684 0.84 KMT2A (0.58) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL18657298 0.84 KMT2A (0.57) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL10071686 0.82 MEN1 (0.69) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL17211883 0.82 MEN1 (0.63) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL17211957 0.82 MEN1 (0.57) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL684611 0.81 MEN1 (0.71) KMT2AMEN1MAPTHTTKDM4E

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
US-5204311-A Yellow colored coordination compounds of transition metals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-04-20 US disclosed
EP-0531020-A1 Ethanediimidic acid bis arylalkylidene)hydrazide MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-03-10 EP disclosed