SCHEMBL22562977

SCHEMBL22562977

C=C(CC(N)S)c1ccccc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.37
HSD17B10 Q99714 8/20 0.37
TSHR P16473 3/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
CFTR P13569 1/20 0.35
KDM4E B2RXH2 7/20 0.34
HPGD P15428 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP3A4 P08684 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 2/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FADS1 O60427 1/20 0.33
ALOX15 P16050 3/20 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
SCHEMBL20340877 0.81 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRMAPTGAA
SCHEMBL7790948 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRMAPTGAA
SCHEMBL22562942 0.81 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRMAPTGAA
SCHEMBL19519881 0.77 KDM4E (0.49) ALDH1A1HSD17B10TSHRMAPTGAA
SCHEMBL22564080 0.75 MAOA (0.48) ALDH1A1TSHRMAPTKDM4EHPGD
SCHEMBL24385024 0.72 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRMAPTGAA
SCHEMBL17483632 0.72 MAPT (0.41) ALDH1A1HSD17B10TSHRMAPTGAA
SCHEMBL6839010 0.69 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRMAPTGAA
SCHEMBL10609915 0.69 ALDH1A1 (0.49) ALDH1A1HSD17B10TSHRMAPTGAA
SCHEMBL29860915 0.69 ALDH1A1 (0.49) ALDH1A1HSD17B10TSHRMAPTGAA

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
EP-2719393-B1 FREEZE-DRIED PREPARATION CONTAINING HIGH-PURITY PTH AND METHOD FOR PRODUCING SAME ASAHI KASEI PHARMA CORP (JP) 2020-10-21 EP disclosed