SCHEMBL7472155

SCHEMBL7472155

CC(C)(CCNC(=O)c1ccccn1)CCNC(=O)c1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
ALDH1A1 P00352 1/20 0.59
EPHX2 P34913 1/20 0.58
MEN1 O00255 4/20 0.58
ALOX15 P16050 1/20 0.57
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL28287261 0.91 KMT2A (0.63) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL19169564 0.85 SMN1; SMN2 (0.68) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL9341104 0.85 KMT2A (0.83) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL31658991 0.85 KMT2A (0.83) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL7476974 0.84 KMT2A (0.58) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL3715361 0.82 KMT2A (0.69) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL30131390 0.82 KMT2A (0.69) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL3673650 0.82 KMT2A (0.73) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL8516755 0.82 SMN1; SMN2 (0.90) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL10706270 0.81 KMT2A (0.71) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861077-B1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-02-06 EP claimed
EP-0861077-A4 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-03-03 EP claimed
EP-0861077-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-09-02 EP claimed
WO-1997017964-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 WO claimed
EP-1189901-A1 OXAZAHETEROCYCLES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-03-27 EP disclosed
EP-0861077-B1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-02-06 EP disclosed
WO-2000073302-A1 OXAZAHETEROCYCLES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-12-07 WO disclosed
US-6107309-A BLOOD DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2000-08-22 US disclosed
EP-0861077-A4 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-03-03 EP disclosed
EP-0861077-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-09-02 EP disclosed
WO-1997017964-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 WO disclosed