SCHEMBL8910428

SCHEMBL8910428

O=C(Nc1ccccc1)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.92
RAB9A P51151 3/20 0.92
MEN1 O00255 2/20 0.92
KMT2A Q03164 2/20 0.92
FFAR1 O14842 1/20 0.82
PTPN1 P18031 3/20 0.75
KDM4E B2RXH2 2/20 0.71
POLB P06746 2/20 0.71
SIRT1 Q96EB6 2/20 0.71
HDAC2 Q92769 1/20 0.71
HDAC8 Q9BY41 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
KCNK3 O14649 1/20 0.68
KCNK9 Q9NPC2 1/20 0.68
CACNA1B Q00975 1/20 0.67
APBA1 Q02410 1/20 0.67
CTDSP1 Q9GZU7 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
MAPK13 O15264 1/20 0.64
MAPK12 P53778 1/20 0.64

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
SCHEMBL5344166 0.96 NPC1 (1.00) NPC1RAB9AMEN1KMT2AFFAR1
SCHEMBL31432724 0.96 NPC1 (1.00) NPC1RAB9AMEN1KMT2AFFAR1
SCHEMBL8768933 0.96 NPC1 (1.00) NPC1RAB9AMEN1KMT2AFFAR1
SCHEMBL26953087 0.91 PTPN1 (0.88) NPC1RAB9AMEN1KMT2AFFAR1
SCHEMBL24202631 0.91 SIRT1 (0.83) NPC1RAB9AMEN1KMT2AFFAR1
N-Phenylbenzamide SCHEMBL5402750 0.91 SIRT1 (0.83) NPC1RAB9AMEN1KMT2AFFAR1
N-Phenylbenzamide SCHEMBL31966 0.91 SIRT1 (0.83) NPC1RAB9AMEN1KMT2AFFAR1
SCHEMBL1315526 0.91 PTPN1 (0.87) NPC1RAB9AMEN1KMT2AFFAR1
SCHEMBL14715824 0.89 NPC1 (0.88) NPC1RAB9AMEN1KMT2AFFAR1
SCHEMBL18103163 0.89 NPC1 (0.88) NPC1RAB9AMEN1KMT2AFFAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672750-A Preparation of aromatic amides from carbon monoxide, an amine and an aromatic chloride EASTMAN CHEMICAL COMPANY (US) 1997-09-30 US disclosed