SCHEMBL7597843

SCHEMBL7597843

O=C1CC(CNC(=O)c2ccccn2)(CNC(=O)c2ccccn2)CCO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
PKM P14618 1/20 0.43
EPHX2 P34913 1/20 0.42
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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 0.83 POLB (0.51) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7473046 0.81 KMT2A (0.56) POLBMAPTSMN1; SMN2KMT2AEPHX2
SCHEMBL7472773 0.78 KMT2A (0.52) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30761563 0.74 KMT2A (0.55) POLBMAPTSMN1; SMN2KMT2AEPHX2
SCHEMBL21436913 0.74 KMT2A (0.55) POLBMAPTSMN1; SMN2KMT2AEPHX2
SCHEMBL22639782 0.72 P2RX7 (0.59) POLBMAPTSMN1; SMN2KMT2AEPHX2
SCHEMBL8035779 0.71 KMT2A (0.61) SMN1; SMN2KMT2AEPHX2MEN1ALDH1A1
SCHEMBL3673650 0.69 KMT2A (0.73) SMN1; SMN2KMT2AEPHX2MEN1ALDH1A1
SCHEMBL9341104 0.69 KMT2A (0.83) SMN1; SMN2KMT2AEPHX2MEN1ALDH1A1
SCHEMBL31658991 0.69 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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