SCHEMBL19790141

SCHEMBL19790141

CC(=O)C(Cc1cccs1)NC(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.52
CYP2C19 P33261 1/20 0.51
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 3/20 0.45
HTT P42858 1/20 0.45
CTSC P53634 3/20 0.45
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL23513631 0.88 CYP2C19 (0.60) RAB9ACYP2C19NPC1SMN1; SMN2LMNA
SCHEMBL19483469 0.86 RAB9A (0.51) RAB9ACYP2C19NPC1SMN1; SMN2LMNA
SCHEMBL14010003 0.86 RAB9A (0.51) RAB9ACYP2C19NPC1SMN1; SMN2LMNA
SCHEMBL15185809 0.85 RAB9A (0.50) RAB9ACYP2C19NPC1SMN1; SMN2LMNA
SCHEMBL14048129 0.84 CYP2C19 (0.54) RAB9ACYP2C19NPC1SMN1; SMN2LMNA
SCHEMBL8301760 0.84 CYP2C19 (0.54) RAB9ACYP2C19NPC1SMN1; SMN2LMNA
SCHEMBL12220083 0.84 CYP2C19 (0.54) RAB9ACYP2C19NPC1SMN1; SMN2LMNA
SCHEMBL15075357 0.83 CYP2C19 (0.53) RAB9ACYP2C19NPC1SMN1; SMN2LMNA
SCHEMBL25721680 0.83 RAB9A (0.54) RAB9ACYP2C19NPC1SMN1; SMN2LMNA
SCHEMBL5831753 0.80 CYP2C19 (0.61) RAB9ACYP2C19NPC1SMN1; SMN2LMNA

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-2794634-B1 PROCESS FOR THE SYNTHESIS OF GHRELIN ANALOGUES IPSEN MFG IRELAND LIMITED (IE) 2018-01-24 EP disclosed