SCHEMBL7479928

SCHEMBL7479928

O=C(NCC1(CNC(=O)c2ccccn2)CCOCC1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
EPHX2 P34913 1/20 0.47
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
GRM4 Q14833 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDR P35968 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL7473046 0.90 KMT2A (0.56) POLBMAPTSMN1; SMN2KMT2AEPHX2
SCHEMBL7472773 0.86 KMT2A (0.52) POLBMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL7597843 0.83 POLB (0.46) POLBMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL30761563 0.80 KMT2A (0.55) POLBMAPTSMN1; SMN2KMT2AEPHX2
SCHEMBL21436913 0.80 KMT2A (0.55) POLBMAPTSMN1; SMN2KMT2AEPHX2
SCHEMBL22639782 0.77 P2RX7 (0.59) POLBMAPTSMN1; SMN2KMT2AEPHX2
SCHEMBL8035779 0.75 KMT2A (0.61) SMN1; SMN2KMT2AEPHX2MEN1ALDH1A1
SCHEMBL3672285 0.75 POLB (0.64) POLBMAPTSMN1; SMN2KMT2AGRM4
SCHEMBL31658991 0.73 KMT2A (0.83) SMN1; SMN2KMT2AEPHX2MEN1ALDH1A1
SCHEMBL9341104 0.73 KMT2A (0.83) SMN1; SMN2KMT2AEPHX2MEN1ALDH1A1

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 9 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-0861077-B1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-02-06 EP 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