SCHEMBL777049

SCHEMBL777049

O=C(NC1=C(NC(=O)c2ccccc2)CCC=C1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.41
SIRT1 Q96EB6 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40

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
SCHEMBL777642 0.83 PTPN1 (0.44) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL13577697 0.83 KCNK3 (0.45) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL20082202 0.70 PTPN1 (0.44) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL18250665 0.69 PTPN1 (0.43) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL27797782 0.66 RAB9A (0.57) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL5585822 0.65 NPC1 (0.51) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL10427470 0.65 NPC1 (0.47) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL24202631 0.64 SIRT1 (0.83) PTPN1KCNK3KCNK9NPC1RAB9A
N-Phenylbenzamide SCHEMBL31966 0.64 SIRT1 (0.83) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL126415 0.64 PTPN1 (0.87) PTPN1KCNK3KCNK9NPC1RAB9A

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-8673998-B2 Polymer compositions with improved cold flow BRIDGESTONE CORPORATION (JP) 2014-03-18 US disclosed
US-20120071583-A1 POLYMER COMPOSITIONS WITH IMPROVED COLD FLOW BRIDGESTONE CORPORATION (JP) 2012-03-22 US disclosed