SCHEMBL28330133

SCHEMBL28330133

Cc1ccc(-c2cccn2Cc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
LMNA P02545 3/20 0.51
TP53 P04637 2/20 0.51
TSHR P16473 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 3/20 0.47
PKM P14618 2/20 0.47
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CMA1 P23946 1/20 0.46
MEN1 O00255 2/20 0.45
CASP1 P29466 2/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL28878851 0.88 KDM4E (0.53) MAPTSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL28331427 0.88 ALDH1A1 (0.51) MAPTSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL28331435 0.87 CMA1 (0.46) MAPTSMN1; SMN2TSHRALDH1A1KMT2A
SCHEMBL28331488 0.87 MAPT (0.56) MAPTSMN1; SMN2LMNATP53TSHR
SCHEMBL28330152 0.84 TRPV6 (0.52) MAPTSMN1; SMN2TSHRALDH1A1KMT2A
SCHEMBL28331553 0.84 SMN1; SMN2 (0.52) MAPTSMN1; SMN2LMNATP53TSHR
SCHEMBL28330007 0.81 CMA1 (0.53) MAPTSMN1; SMN2LMNATP53TSHR
SCHEMBL20379142 0.80 SMN1; SMN2 (0.49) MAPTSMN1; SMN2LMNATP53TSHR
SCHEMBL28878859 0.78 SMN1; SMN2 (0.57) MAPTSMN1; SMN2LMNATP53TSHR
SCHEMBL20379417 0.75 SMN1; SMN2 (0.54) MAPTSMN1; SMN2LMNATP53TSHR

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
CN-110494136-A Cytoprotective compounds and application thereof ETH ZUERICH 2019-11-22 CN claimed
CN-110494136-A Cytoprotective compounds and application thereof ETH ZUERICH 2019-11-22 CN disclosed