SCHEMBL5325660

SCHEMBL5325660

Cc1ccc(-c2cc(=O)n(CC(O)CN3CCN(c4ccccn4)CC3)c(=O)n2-c2cc(C)cs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.48
LMNA P02545 5/20 0.48
POLB P06746 3/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL5322162 0.91 SLC6A7 (0.41) ALDH1A1MAPTLMNAPOLBMAPK1
SCHEMBL5285676 0.85 HSD17B10 (0.36) ALDH1A1MAPTLMNAPOLBMAPK1
SCHEMBL5325651 0.84 LMNA (0.47) ALDH1A1MAPTLMNAPOLBMAPK1
SCHEMBL5457973 0.71
SCHEMBL14622908 0.69 DRD2 (0.38)
SCHEMBL11104845 0.68 ALDH1A1 (0.63) ALDH1A1MAPTLMNAPOLBMAPK1
SCHEMBL12575384 0.68 MAPT (0.75) ALDH1A1MAPTLMNAPOLBMAPK1
SCHEMBL5328796 0.67 DNM1 (0.45) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL11108098 0.66 LMNA (0.63) ALDH1A1MAPTLMNAPOLBMAPK1
SCHEMBL609364 0.66 LMNA (1.00) ALDH1A1MAPTLMNAPOLBMAPK1

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
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO claimed
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed