SCHEMBL7995053

SCHEMBL7995053

CCN(CC)CCc1cc(OC)cc2[nH]c(NC(=O)c3ccc(C)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.44
NPC1 O15118 9/20 0.44
PKM P14618 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KLF5 Q13887 2/20 0.44
OPRK1 P41145 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.41
MCHR1 Q99705 1/20 0.40
ESR1 P03372 1/20 0.39
TP53 P04637 1/20 0.38
AHR P35869 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CSNK1E P49674 1/20 0.37
CSNK1G3 Q9Y6M4 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL11705152 0.73 RAB9A (0.68) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL7993584 0.73 NPC1 (0.56) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL11705140 0.71 RAB9A (0.68) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL7993421 0.66 NPC1 (0.57) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL24169384 0.65 ESR1 (0.56) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL6929891 0.65 ALDH1A1 (0.60) RAB9ANPC1MEN1KMT2AOPRK1
SCHEMBL11700747 0.64 NPC1 (0.69) RAB9ANPC1PKMMEN1KMT2A
Hydrochloric Acid SCHEMBL7996765 0.64 MAOB (0.59) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL11703485 0.63 RAB9A (0.73) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL29420092 0.63 NPC1 (0.81) RAB9ANPC1PKMMEN1KMT2A

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
WO-2001070705-A1 2-ACYLAMINOBENZIMIDAZOLE DERIVATIVES FOR TREATING GLAUCOMA ALCON, INC. (CH) 2001-09-27 WO disclosed