SCHEMBL7653615

SCHEMBL7653615

CN(Cc1ccc(CN(C)C(CO)CO)nc1)C(CO)CO

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
PNP P00491 1/20 0.36
KMT2A Q03164 4/20 0.32
MAPT P10636 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MEN1 O00255 3/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL7654981 0.82 PNP (0.41) PDCD1CD274PNPESR1ESR2
SCHEMBL7654585 0.81 PNP (0.41) PDCD1CD274PNPKMT2AMAPT
SCHEMBL7661935 0.79 ESR1 (0.30) ESR1ESR2
SCHEMBL7652140 0.75 PNP (0.39) PDCD1CD274PNPKMT2AMAPT
SCHEMBL7650963 0.75 KMT2A (0.39) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL7658936 0.73 KMT2A (0.45) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL7108544 0.72 PNP (0.36) PNP
SCHEMBL5209583 0.72 MAPT (0.42) PNPMAPTALDH1A1MAPK1
SCHEMBL7656354 0.72 PNP (0.36) PDCD1CD274PNP
SCHEMBL7655218 0.72 GRIN2D (0.39) PDCD1CD274PNP

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-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US disclosed