SCHEMBL777642

SCHEMBL777642

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 2/20 0.43
SIRT1 Q96EB6 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
IDO1 P14902 1/20 0.42
ALOX15 P16050 1/20 0.42
CA9 Q16790 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL777049 0.83 PTPN1 (0.42) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL13577697 0.72 KCNK3 (0.45) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL10218967 0.67 KMT2A (0.47) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL1110180 0.66 MDM4 (0.73) PTPN1KCNK3KCNK9NPC1RAB9A
N-Phenylbenzamide SCHEMBL31966 0.66 SIRT1 (0.83) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL24202631 0.66 SIRT1 (0.83) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL126415 0.66 PTPN1 (0.87) PTPN1KCNK3KCNK9NPC1RAB9A
N-Phenylbenzamide SCHEMBL5402750 0.66 SIRT1 (0.83) PTPN1KCNK3KCNK9NPC1RAB9A
SCHEMBL20082202 0.66 PTPN1 (0.44) PTPN1KCNK3KCNK9NPC1RAB9A
N-Phenylbenzamide SCHEMBL7787063 0.65 SIRT1 (0.80) 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