SCHEMBL4134178

SCHEMBL4134178

CCNCCC(NCC)C(N)CCN

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL6701801 0.77 MEN1 (0.30) MEN1GLACYP2C19KMT2A
SCHEMBL11775833 0.73 CYP2C19 (0.36) MEN1GLACYP2C19KMT2A
SCHEMBL28219537 0.70 CYP2C19 (0.38) MEN1GLACYP2C19KMT2A
SCHEMBL8661679 0.68 GNAI3 (0.38) MEN1KMT2A
SCHEMBL11742072 0.67 CYP2C19 (0.35) MEN1GLACYP2C19KMT2A
SCHEMBL11123620 0.67 CYP2C19 (0.43) MEN1GLACYP2C19KMT2A
SCHEMBL2162868 0.67
SCHEMBL4290333 0.67
SCHEMBL12501989 0.65
SCHEMBL4455326 0.65 CYP2C19 (0.39) MEN1GLACYP2C19KMT2A

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-2009110942-A2 GENERATION OF COMBINATORIAL SYNTHETIC LIBRARIES AND SCREENING FOR NOVEL PROADHESINS AND NONADHESINS CERNOFINA, LLC (US) 2009-09-11 WO disclosed
WO-2009076618-A2 GENERATION OF COMBINATORIAL SYNTHETIC LIBRARIES AND SCREENING FOR NOVEL PROADHESINS AND NONADHESINS CERNOFINA, LLC (US) 2009-06-18 WO disclosed