SCHEMBL4386828

SCHEMBL4386828

CC(=O)c1cccc(SCCCc2c[nH]cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.46
APEX1 P27695 1/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GRK6 P43250 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
Oxalic Acid SCHEMBL7977323 0.97 HRH3 (0.43) HRH3APEX1HPGDRAB9ALMNA
SCHEMBL4379711 0.93 HRH3 (0.43) HRH3APEX1HPGDRAB9ALMNA
Oxalic Acid SCHEMBL7988233 0.89 HRH3 (0.41) HRH3APEX1HPGDRAB9AKMT2A
SCHEMBL4379687 0.81 KMT2A (0.50) HRH3RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4543312 0.80 KMT2A (0.49) HRH3KMT2AMEN1ALDH1A1
Oxalic Acid SCHEMBL8934783 0.79 MAPT (0.34) HPGDRAB9ALMNAKMT2AMEN1
SCHEMBL7991004 0.77 HRH3 (0.42) HRH3APEX1HPGDRAB9ALMNA
Oxalic Acid SCHEMBL4378004 0.77 MAOB (0.47) HRH3RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4379745 0.76 HPGD (0.43) HPGDRAB9ALMNAKMT2AMEN1
SCHEMBL4387581 0.76 RAB9A (0.63) HPGDRAB9ALMNAKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP disclosed
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 disclosed