SCHEMBL23080979

SCHEMBL23080979

NC(=O)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 4/20 0.50
POLB P06746 2/20 0.50
HSD17B10 Q99714 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 3/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 6/20 0.47
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 2/20 0.46
RECQL P46063 1/20 0.46
USP2 O75604 1/20 0.46
CREBBP Q92793 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 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
SCHEMBL21563866 0.84 MAPT (0.53) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL1668058 0.81 NPC1 (0.71) KDM4EALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL10568444 0.71 SRC (0.56) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL853240 0.70 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL22976049 0.70 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL5924831 0.70 NPC1 (0.80) KDM4EALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL730536 0.69 MAPT (0.73) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL16989247 0.67 HPGD (0.49) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL27584609 0.67 KLKB1 (0.61) KDM4EALDH1A1
SCHEMBL14307992 0.67 PARP1 (0.54) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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
US-20220002796-A1 QUALITY CONTROL OF LNA OLIGONUCLEOTIDE THERAPEUTICS USING MASSIVELY PARALLEL SEQUENCING ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2022-01-06 US disclosed
US-20210071247-A1 MASSIVELY PARALLEL DISCOVERY METHODS FOR OLIGONUCLEOTIDE THERAPEUTICS ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2021-03-11 US disclosed