SCHEMBL5363493

SCHEMBL5363493

COc1cc(F)cc(SC)c1C(=O)NC(c1ccccc1)C(C)(C)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
SLC6A9 P48067 6/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
KMT2A Q03164 5/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 4/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL8222493 0.86 RXFP1 (0.40) ROCK2KMT2ATP53RXFP1ALDH1A1
SCHEMBL5353056 0.84 SLC6A9 (0.42) ROCK2SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL5414112 0.79 SLC6A9 (0.42) ROCK2SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL3905209 0.77 LMNA (0.36) KMT2AALDH1A1GAALMNAMEN1
SCHEMBL3903948 0.76 SLC6A9 (0.48) SLC6A9
SCHEMBL8233755 0.76 SLC6A9 (0.44) ROCK2SLC6A9CYP2D6CYP2C19SLC6A5
Hydrochloric Acid SCHEMBL3910216 0.76 SLC6A9 (0.48) SLC6A9
SCHEMBL3903986 0.76 KMT2A (0.51) KMT2AALDH1A1HPGDGAALMNA
SCHEMBL3901142 0.75 KMT2A (0.42) KMT2ATP53RXFP1ALDH1A1HPGD
SCHEMBL3905138 0.75 ATM (0.44) SLC6A9KMT2ARXFP1POLBALDH1A1

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
WO-2007147834-A1 GLYCINE TRANSPORTER INHIBITING COMPOUNDS AND USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-12-27 WO claimed
WO-2007147834-A1 GLYCINE TRANSPORTER INHIBITING COMPOUNDS AND USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-12-27 WO disclosed