SCHEMBL20139908

SCHEMBL20139908

CCOC(=O)C(=O)NC[C@H](c1cccnn1)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.44
GAA P10253 3/20 0.42
HDAC4 P56524 1/20 0.37
SLC6A9 P48067 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.35
MC4R P32245 2/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL20139640 0.84 GAA (0.46) GAAHDAC4SMN1; SMN2MAPTALDH1A1
SCHEMBL21775376 0.74 CTDSP1 (0.44) CTDSP1GAASLC6A9SMN1; SMN2MAPT
SCHEMBL20141623 0.70 HDAC4 (0.37) GAAHDAC4SLC6A9CNR2
SCHEMBL17316873 0.65 HDAC4 (0.49) GAAHDAC4SLC6A9
SCHEMBL5403220 0.65 CTDSP1 (0.49) CTDSP1GAASMN1; SMN2ALDH1A1LMNA
SCHEMBL5530167 0.63 MMP8 (0.49) SMN1; SMN2ALDH1A1KDM4ETDP1CNR2
SCHEMBL11428004 0.63 GPR35 (0.65) GAASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL16795580 0.63 MMP8 (0.49) SMN1; SMN2ALDH1A1LMNAKDM4ETDP1
SCHEMBL15917866 0.62 CASP1 (0.70) GAASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL28165643 0.62 CES2 (0.53) GAASMN1; SMN2ALDH1A1KDM4E

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
EP-3538520-A2 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2019-09-18 EP disclosed
WO-2018089330-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed