SCHEMBL8035779

SCHEMBL8035779

O=C(NCCC1(CCNC(=O)c2ccccn2)CC1)c1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
EPHX2 P34913 1/20 0.57
MEN1 O00255 4/20 0.56
ALDH1A1 P00352 1/20 0.55
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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 0.84 KMT2A (0.56) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL9341104 0.84 KMT2A (0.83) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL31658991 0.84 KMT2A (0.83) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL3673650 0.80 KMT2A (0.73) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL8516755 0.80 SMN1; SMN2 (0.90) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL27924635 0.79 KMT2A (0.71) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL11721101 0.79 KMT2A (0.71) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL29135742 0.79 KMT2A (0.71) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL8722345 0.78 KMT2A (0.65) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL1428272 0.78 KMT2A (0.69) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1

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
US-6107309-A BLOOD DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2000-08-22 US disclosed