SCHEMBL20139640

SCHEMBL20139640

CCOC(=O)C(=O)NC[C@H](c1cnccn1)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
HDAC4 P56524 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GRM4 Q14833 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
P2RX7 Q99572 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL20139908 0.84 CTDSP1 (0.44) GAAHDAC4SMN1; SMN2ALDH1A1PKM
SCHEMBL20161328 0.75 SMN1; SMN2 (0.41) GAASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL20139663 0.70 ROCK2 (0.39) GAAHDAC4KMT2AMEN1ALDH1A1
SCHEMBL30772894 0.67 ALDH1A1 (0.48) GAASMN1; SMN2KMT2AALDH1A1PKM
SCHEMBL26122852 0.67 ALDH1A1 (0.48) GAASMN1; SMN2KMT2AALDH1A1PKM
SCHEMBL6203371 0.67 SMN1; SMN2 (0.40) HDAC4SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL8745912 0.66 NOTUM (0.40) GAASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL12877954 0.64 HPGDS (0.45)
SCHEMBL1433150 0.64 SMN1; SMN2 (0.43) GAASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL8745948 0.64 POLB (0.39) GAASMN1; SMN2KMT2AMEN1ALDH1A1

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