SCHEMBL3970077

SCHEMBL3970077

COC(=O)C1CSCC(N)C1=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
BRD4 O60885 1/20 0.32
GABRR1 P24046 1/20 0.30
MMP2 P08253 1/20 0.30
ANPEP P15144 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
SCHEMBL3969985 0.80 CYP1A2 (0.38) KMT2ACYP1A2HIF1ABRD4
Hydrochloric Acid SCHEMBL3970853 0.76
SCHEMBL3969491 0.73 CYP1A2 (0.34) CYP1A2HIF1ABRD4GABRR1MMP2
SCHEMBL189981 0.72 KMT2A (0.38) KMT2ACYP1A2HIF1ABRD4MMP2
SCHEMBL13640173 0.71 KMT2A (0.49) KMT2A
SCHEMBL3199635 0.70 KMT2A (0.37) KMT2ACYP1A2HIF1ABRD4MMP2
SCHEMBL8492515 0.70 KMT2A (0.34) KMT2ACYP1A2HIF1ABRD4
SCHEMBL2904103 0.69 KMT2A (0.36) KMT2ACYP1A2HIF1ABRD4
SCHEMBL4083564 0.68 CYP1A2 (0.41) CYP1A2HIF1ABRD4GABRR1MMP2
SCHEMBL13882832 0.68 CYP1A2 (0.46) KMT2ACYP1A2HIF1ABRD4MMP2

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
WO-2009049018-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-04-16 WO disclosed
WO-2009049018-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-04-16 WO disclosed