SCHEMBL19982891

SCHEMBL19982891

N#CCC(NC(=O)c1ccccc1)C(O)C(=O)NC1CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
CTSL P07711 12/20 0.48
CTSB P07858 7/20 0.48
CTSS P25774 6/20 0.48
CTSK P43235 6/20 0.48
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BACE1 P56817 2/20 0.39
CTSD P07339 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39

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
SCHEMBL19975443 0.84 MEN1 (0.55) MEN1KMT2ALMNACTSLCTSB
SCHEMBL19974933 0.81 MEN1 (0.53) MEN1KMT2ALMNACTSLCTSB
SCHEMBL21526199 0.70 TDP1 (0.48) RAB9ASMN1; SMN2BACE1
SCHEMBL1989246 0.70 TDP1 (0.48) RAB9ASMN1; SMN2BACE1
SCHEMBL13078767 0.69 TDP1 (0.49) KMT2ASMN1; SMN2
SCHEMBL124395 0.68 NPC1 (0.79) MEN1KMT2ACTSLCTSBCTSK
SCHEMBL2230140 0.68 NPC1 (0.79) MEN1KMT2ACTSLCTSBCTSK
SCHEMBL19982904 0.68 EPHX1 (0.43) MEN1KMT2ALMNACTSLCTSB
SCHEMBL22123932 0.67 MEN1 (0.61) MEN1KMT2ALMNANPC1RAB9A
Bicarbonate SCHEMBL11025569 0.67 NPC1 (0.76) MEN1KMT2ACTSLCTSBCTSK

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
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed