SCHEMBL7991004

SCHEMBL7991004

CC(=O)c1cccc(SCCCc2c[nH]c(OC(=O)C(=O)Oc3nc(CCCSc4cccc(C(C)=O)c4)c[nH]3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
GRK6 P43250 1/20 0.38
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
APEX1 P27695 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MAP1LC3B Q9GZQ8 1/20 0.32
MAP1LC3A Q9H492 1/20 0.32
PLK4 O00444 1/20 0.32
DCLK1 O15075 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL7988235 0.93 HRH3 (0.40) HRH3GRK6CTSSCTSKKMT2A
SCHEMBL4378007 0.81 KMT2A (0.48) HRH3KMT2AMEN1ALDH1A1
SCHEMBL4386828 0.77 HRH3 (0.46) HRH3GRK6KMT2AMEN1POLB
SCHEMBL7994747 0.75 KDM4E (0.45) HRH3GRK6CTSKKMT2AMEN1
Oxalic Acid SCHEMBL7977323 0.75 HRH3 (0.43) HRH3GRK6KMT2AMEN1POLB
SCHEMBL7994706 0.70 CHEK1 (0.36) HRH3POLBLMNARAB9AMAPT
SCHEMBL4379711 0.70 HRH3 (0.43) HRH3GRK6KMT2AMEN1LMNA
SCHEMBL17052735 0.69 HDAC1 (0.45) KMT2AMEN1LMNAHPGDRAB9A
SCHEMBL7991427 0.69 HRH3 (0.37) HRH3POLBLMNAMAPT
SCHEMBL11725367 0.68 HDAC1 (0.52) KMT2AMEN1LMNAHPGDRAB9A

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-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO claimed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed