SCHEMBL5285676

SCHEMBL5285676

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.36
PRMT5 O14744 3/20 0.34
WDR77 Q9BQA1 3/20 0.34
KDM4E B2RXH2 9/20 0.34
ALDH1A1 P00352 7/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 2/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL5325610 0.91 MEN1 (0.39) HSD17B10PRMT5WDR77KDM4EALDH1A1
SCHEMBL5321670 0.88 ALOX15 (0.44) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5325660 0.85 ALDH1A1 (0.48) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5457973 0.77
SCHEMBL5328796 0.74 DNM1 (0.45) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL5325599 0.72 KDM4E (0.38) HSD17B10PRMT5WDR77KDM4EALDH1A1
SCHEMBL18931673 0.72 MEN1 (0.36) HSD17B10PRMT5WDR77KDM4EALDH1A1
SCHEMBL14622410 0.71 MAPT (0.43) PRMT5WDR77KDM4EALDH1A1HPGD
SCHEMBL5328610 0.70 MEN1 (0.36) HSD17B10PRMT5WDR77KDM4EALDH1A1
SCHEMBL5321659 0.70 ALOX15 (0.43) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2

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