SCHEMBL9704727

SCHEMBL9704727

O=C(NOCCO)c1ccc(C(=O)NOCCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
HDAC3 O15379 5/20 0.47
HDAC4 P56524 5/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC7 Q8WUI4 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC10 Q969S8 5/20 0.47
HDAC11 Q96DB2 5/20 0.47
HDAC8 Q9BY41 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC9 Q9UKV0 5/20 0.47
HDAC5 Q9UQL6 5/20 0.47
MAPT P10636 2/20 0.44
MPO P05164 1/20 0.43
CYP3A4 P08684 1/20 0.43
KDM5A P29375 1/20 0.43
BLM P54132 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL23647979 0.91 OGG1 (0.58) KMT2ARAB9ANPC1HDAC3HDAC4
SCHEMBL1897651 0.90 NPC1 (0.62) KMT2ARAB9ANPC1HDAC3HDAC4
SCHEMBL21894152 0.88 CA1 (0.64) KMT2ARAB9ANPC1MAPTCYP3A4
SCHEMBL28575453 0.87 KDM4E (0.58) KMT2ARAB9ANPC1MPOCYP3A4
SCHEMBL21894711 0.86 ALK (0.48) KMT2ARAB9ANPC1MAPTCA1
SCHEMBL9359367 0.86 KMT2A (0.49) KMT2ARAB9ANPC1HDAC3HDAC4
SCHEMBL9445567 0.84 HDAC8 (0.49) KMT2ARAB9ANPC1HDAC3HDAC4
SCHEMBL15938003 0.80 MAPT (0.53) KMT2ARAB9ANPC1HDAC3HDAC4
SCHEMBL9703918 0.79 HDAC3 (0.47) KMT2ARAB9ANPC1HDAC3HDAC4
SCHEMBL6534016 0.79 MAP2K1 (0.47) KMT2ARAB9ANPC1MAPTKDM4E

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-1992011307-A1 LATENT, HEAT-CURABLE EPOXY RESIN COMPOSITIONS CONTAINING METAL CARBOXYLATE CURING SYSTEMS HENKEL RESEARCH CORPORATION (US) 1992-07-09 WO disclosed