SCHEMBL6837896

SCHEMBL6837896

COc1cccc2cc(C(=O)NCc3ccccc3)oc12

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.63
MEN1 O00255 5/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
RXFP1 Q9HBX9 3/20 0.62
LMNA P02545 1/20 0.61
RECQL P46063 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
ALDH1A1 P00352 3/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TP53 P04637 2/20 0.60
HPGD P15428 2/20 0.60
BMP1 P13497 2/20 0.59
MMP12 P39900 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
GLA P06280 1/20 0.58

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
SCHEMBL6837571 0.88 KMT2A (0.76) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL6839495 0.86 HDAC1 (0.69) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL31530557 0.84 ADORA2A (0.61) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL5584871 0.83 KMT2A (0.72) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL978037 0.82 LMNA (0.77) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL6833294 0.82 RAB9A (0.66) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL10664760 0.82 MAPT (0.56) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL5584565 0.81 RAB9A (0.72) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL6839243 0.80 NPC1 (0.74) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL7367818 0.79 LMNA (0.68) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed