SCHEMBL2197237

SCHEMBL2197237

O=COC1CCCC(N2Cc3ccc(-c4ccc(Nc5cccc(Cl)c5)cc4)cc3C2=O)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.34
LMNA P02545 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
PRKDC P78527 1/20 0.32
POLB P06746 1/20 0.32
DGAT1 O75907 1/20 0.32
MAPK3 P27361 1/20 0.32

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
SCHEMBL2197877 0.92 JAK2 (0.34) MAPK1CYP2C9ADRA1AHRH1PRKDC
SCHEMBL2201498 0.90 AXL (0.36) MAPK1CYP2C9ADRA1AHRH1MAPK3
SCHEMBL2179479 0.86 ABCB1 (0.41)
SCHEMBL2197233 0.83 DGAT1 (0.42) MAPK1ALPLALPIALPGKMT2A
SCHEMBL2196065 0.82 ALPL (0.38) MAPK1ALPLALPIALPGKMT2A
SCHEMBL2181333 0.82 SLC2A1 (0.38) KMT2A
SCHEMBL2197850 0.81 JAK2 (0.36) MAPK1CYP2C9ADRA1AHRH1
SCHEMBL2201496 0.77 MGLL (0.40) MAPK1ALPLALPIALPGKMT2A
SCHEMBL2198202 0.77 JAK2 (0.36) MAPK1
SCHEMBL2177542 0.76 ABCB1 (0.42)

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
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO disclosed