SCHEMBL6839495

SCHEMBL6839495

COc1cccc2cc(C(=O)NCCCc3ccccc3)oc12

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.69
HDAC2 Q92769 1/20 0.69
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
DRD2 P14416 2/20 0.62
DRD3 P35462 2/20 0.62
RXFP1 Q9HBX9 1/20 0.61
ADORA2A P29274 2/20 0.59
ADORA2B P29275 1/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
BCHE P06276 6/20 0.57
ACHE P22303 6/20 0.57
BACE1 P56817 1/20 0.57
LMNA P02545 1/20 0.56
RECQL P46063 1/20 0.56
BMP1 P13497 1/20 0.55
MMP12 P39900 1/20 0.55
DRD4 P21917 1/20 0.55

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 0.93 KMT2A (0.76) HDAC1HDAC2MEN1KMT2ADRD2
SCHEMBL6837896 0.86 KMT2A (0.63) HDAC1HDAC2MEN1KMT2ARXFP1
SCHEMBL31530557 0.81 ADORA2A (0.61) HDAC1HDAC2MEN1KMT2ADRD2
SCHEMBL6838023 0.80 ALDH1A1 (0.48) HDAC1HDAC2MEN1KMT2ANPC1
SCHEMBL5584871 0.79 KMT2A (0.72) HDAC1HDAC2MEN1KMT2ARXFP1
SCHEMBL6837907 0.79 SLC6A5 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6833294 0.78 RAB9A (0.66) HDAC1HDAC2MEN1KMT2ANPC1
SCHEMBL6833204 0.78 SLC6A5 (0.52) MEN1KMT2ANPC1RAB9A
SCHEMBL5584565 0.77 RAB9A (0.72) HDAC1HDAC2MEN1KMT2ARXFP1
SCHEMBL2979270 0.77 BCHE (0.57) HDAC1HDAC2DRD2DRD3RXFP1

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