SCHEMBL9601666

SCHEMBL9601666

O=C(OC(=O)c1ccccc1Oc1ccnnn1)c1ccccc1Oc1ccnnn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CTNNB1 P35222 1/20 0.35
CYP1A2 P05177 4/20 0.34
CYP2C9 P11712 4/20 0.34
CYP2C19 P33261 3/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
GAA P10253 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL9601655 0.93 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL9599518 0.85 CTNNB1 (0.53) KMT2AMEN1ALDH1A1CTNNB1CYP3A4
SCHEMBL6267051 0.72 RAB9A (0.39) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9692048 0.72 KDM4E (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL26556 0.70 MEN1 (0.31) KMT2AMEN1ALDH1A1HTT
SCHEMBL6937759 0.70 CTNNB1 (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL9601633 0.69 HNF4A (0.35) HSD17B10SLC6A3
SCHEMBL29282587 0.68 BCAT2 (0.37) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL352355 0.68 HTT (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2CTNNB1
SCHEMBL108194 0.68 BCAT2 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2CYP1A2

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
US-5262386-A Herbicides and plant growth regulators, weed control and positive influence on crop plants CIBA-GEIGY CORPORATION (US) 1993-11-16 US disclosed