SCHEMBL12477486

SCHEMBL12477486

O=C(O)CNc1ccc(CC=NOCc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PTGER2 P43116 2/20 0.37
DEGS1 O15121 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
DPP4 P27487 1/20 0.37
S1PR1 P21453 1/20 0.37
IDO1 P14902 1/20 0.36
VNN1 O95497 1/20 0.36
PTPN1 P18031 3/20 0.36
FFAR1 O14842 2/20 0.36
PTPN2 P17706 2/20 0.36
PTPN6 P29350 2/20 0.36
PPARG P37231 1/20 0.36
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL12477406 0.90 PTGER2 (0.36) HDAC3HDAC1HDAC2HDAC6PTGER2
SCHEMBL12476945 0.83 PTPN1 (0.41) HDAC3HDAC1HDAC2HDAC6PTPN1
SCHEMBL12476661 0.81 CNR2 (0.39) DPP4
SCHEMBL12477484 0.80 S1PR1 (0.56) HDAC3HDAC1HDAC2HDAC6DEGS1
SCHEMBL15329798 0.80 S1PR1 (0.56) HDAC3HDAC1HDAC2HDAC6DEGS1
SCHEMBL12477191 0.79 PPARG (0.47) HDAC3HDAC1HDAC2HDAC6DEGS1
SCHEMBL12477187 0.79 PPARG (0.47) HDAC3HDAC1HDAC2HDAC6DEGS1
SCHEMBL12477019 0.79 FFAR1 (0.41) S1PR1IDO1FFAR1PPARGPPARD
SCHEMBL12476657 0.78 PPARA (0.41) HDAC3HDAC1HDAC2HDAC6PTGER2
SCHEMBL16914905 0.78 PPARD (0.54) PTPN1FFAR1PTPN2PTPN6PPARG

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-2658851-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA Cadila Healthcare Limited (IN) 2013-11-06 EP disclosed
WO-2012090220-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA CADILA HEALTHCARE LIMITED (IN) 2012-07-05 WO disclosed