SCHEMBL8113271

SCHEMBL8113271

O=C(CCCc1ccccc1)OCCCc1c[nH]cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
FFAR1 O14842 2/20 0.46
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
ALOX5 P09917 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL8119181 0.88 HRH4 (0.61) TDP1LMNAHRH4HRH3SMN1; SMN2
SCHEMBL7974364 0.84 HDAC1 (0.49) TDP1SMN1; SMN2NPC1RAB9AALOX5
SCHEMBL7961411 0.83 CHRNB2 (0.52) LMNAHRH4HRH3SMN1; SMN2NPC1
SCHEMBL7977081 0.81 HRH3 (0.49) LMNAHRH4HRH3SMN1; SMN2NPC1
SCHEMBL8104619 0.81 HRH4 (0.54) TDP1HRH4HRH3FFAR1ALDH1A1
SCHEMBL7960978 0.81 HRH3 (0.47) LMNAHRH4HRH3KMT2AMEN1
SCHEMBL7974350 0.80 NPC1 (0.46) HRH3SMN1; SMN2NPC1RECQLRAB9A
SCHEMBL12446326 0.79 TDP1 (0.72) TDP1LMNASMN1; SMN2FFAR1NPC1
SCHEMBL31657266 0.79 TDP1 (0.72) TDP1LMNASMN1; SMN2FFAR1NPC1
SCHEMBL13997917 0.79 TDP1 (0.72) TDP1LMNASMN1; SMN2FFAR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP claimed