SCHEMBL19590956

SCHEMBL19590956

CCOc1ccc(C2NC(S)NC(C)=C2C(=O)OC(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 2/20 0.47
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADORA2B P29275 6/20 0.41
HTT P42858 1/20 0.38

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
SCHEMBL10113701 0.80 ADORA2B (0.64) KMT2AMEN1GAAALDH1A1ADORA2B
SCHEMBL10112962 0.69 KMT2A (0.81) KMT2AMEN1GAATP53L3MBTL1
SCHEMBL29155697 0.69 KIF11 (0.66) KMT2AMEN1ALDH1A1LMNAALOX12
SCHEMBL10112959 0.68 KMT2A (0.72) KMT2AMEN1GAATP53L3MBTL1
SCHEMBL948173 0.68 CA12 (0.61) KMT2AMEN1GAAMAPTL3MBTL1
SCHEMBL13419901 0.68 ALDH1A1 (0.63) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL15989536 0.66 KDM4E (0.79) KMT2AMEN1GAATP53MAPT
SCHEMBL11786028 0.65 HRH3 (0.50) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL31541593 0.65 ADORA2B (0.70) KMT2AGAAALDH1A1LMNAALOX12
SCHEMBL15976551 0.65 ALDH1A1 (0.74) KMT2AMEN1GAATP53L3MBTL1

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
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed