SCHEMBL6837571

SCHEMBL6837571

COc1cccc2cc(C(=O)NCCc3ccccc3)oc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.76
MEN1 O00255 2/20 0.76
HDAC1 Q13547 1/20 0.65
HDAC2 Q92769 1/20 0.65
RXFP1 Q9HBX9 1/20 0.64
TAAR1 Q96RJ0 1/20 0.63
ADORA2A P29274 4/20 0.62
ADORA2B P29275 2/20 0.62
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NAMPT P43490 1/20 0.60
DRD2 P14416 1/20 0.59
DRD3 P35462 1/20 0.59
LMNA P02545 2/20 0.59
RECQL P46063 1/20 0.59
MAPT P10636 2/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 2/20 0.57

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
SCHEMBL6839495 0.93 HDAC1 (0.69) KMT2AMEN1HDAC1HDAC2RXFP1
SCHEMBL6837896 0.88 KMT2A (0.63) KMT2AMEN1HDAC1HDAC2RXFP1
SCHEMBL31530557 0.82 ADORA2A (0.61) KMT2AMEN1HDAC1HDAC2RXFP1
SCHEMBL5584871 0.81 KMT2A (0.72) KMT2AMEN1HDAC1HDAC2RXFP1
SCHEMBL6833294 0.80 RAB9A (0.66) KMT2AMEN1HDAC1HDAC2NPC1
SCHEMBL5584565 0.79 RAB9A (0.72) KMT2AMEN1HDAC1HDAC2RXFP1
SCHEMBL6838015 0.79 NPC1 (0.54) KMT2AMEN1TAAR1NPC1RAB9A
SCHEMBL6836758 0.78 NPC1 (0.53) KMT2AMEN1TAAR1NPC1RAB9A
SCHEMBL6837594 0.78 RXFP1 (1.00) KMT2AMEN1HDAC1HDAC2RXFP1
SCHEMBL6837885 0.78 NPC1 (0.53) KMT2AMEN1TAAR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025095411-A1 ANTICANCER PHARMACEUTICAL COMPOUND COMPRISING NOVEL AMIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT 한국화학연구원 2025-05-08 WO disclosed
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