SCHEMBL7473046

SCHEMBL7473046

O=C(NCC1(CNC(=O)c2ccccn2)CC1)c1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
EPHX2 P34913 1/20 0.52
MEN1 O00255 3/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDR P35968 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL7479928 0.90 POLB (0.51) KMT2ASMN1; SMN2EPHX2MEN1HTT
SCHEMBL7472773 0.86 KMT2A (0.52) KMT2ASMN1; SMN2EPHX2MEN1HTT
SCHEMBL30761563 0.86 KMT2A (0.55) KMT2ASMN1; SMN2EPHX2MEN1HTT
SCHEMBL21436913 0.86 KMT2A (0.55) KMT2ASMN1; SMN2EPHX2MEN1HTT
SCHEMBL8035779 0.84 KMT2A (0.61) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL22639782 0.83 P2RX7 (0.59) KMT2ASMN1; SMN2EPHX2MEN1HTT
SCHEMBL7597843 0.81 POLB (0.46) KMT2ASMN1; SMN2EPHX2MEN1HTT
SCHEMBL9341104 0.79 KMT2A (0.83) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL31658991 0.79 KMT2A (0.83) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL28244458 0.78 KMT2A (0.65) KMT2ASMN1; SMN2EPHX2MEN1HTT

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