SCHEMBL6033459

SCHEMBL6033459

CC1CN(c2cccc(N)c2C#N)CC(C)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
GAA P10253 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 8/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.38
GLA P06280 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.35
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL4069287 1.00 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2KDM4EHPGD
SCHEMBL3503589 1.00 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2KDM4EHPGD
SCHEMBL4069284 1.00 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2KDM4EHPGD
SCHEMBL19815819 0.84 ALDH1A1 (0.42) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL11617483 0.83 KDM4E (0.44) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL23123467 0.80 KMT2A (0.41) ALDH1A1GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL23122907 0.80 KMT2A (0.41) ALDH1A1GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL2771146 0.79 KMT2A (0.56) ALDH1A1GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL3090131 0.79 KMT2A (0.56) ALDH1A1GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL3070877 0.79 KMT2A (0.56) ALDH1A1GAASMN1; SMN2KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692085-A2 INHIBITION OF FGFR3 AND TREATMENT OF MULTIPLE MYELOMA Chiron Corporation (US) 2006-08-23 EP disclosed
WO-2005047244-A2 INHIBITION OF FGFR3 AND TREATMENT OF MULTIPLE MYELOMA CHIRON CORPORATION (US) 2005-05-26 WO disclosed