SCHEMBL714120

SCHEMBL714120

CC(=O)OCc1ncc(C)c(OCC2COC(C)(C)OC2)c1C.Cc1cnc(CSc2nc3ccccc3[nH]2)c(C)c1OCC1COC(C)(C)OC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.45
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 3/20 0.38
MAPK1 P28482 1/20 0.38
WDR5 P61964 1/20 0.38
AR P10275 2/20 0.38
MAPT P10636 2/20 0.38
SARM1 Q6SZW1 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
SCHEMBL710578 0.92 BRS3 (0.52) BRS3RAB9ANPC1CYP1A2CYP3A4
SCHEMBL713791 0.88 BRS3 (0.44) BRS3RAB9ANPC1CYP1A2CYP3A4
SCHEMBL712978 0.85 BRS3 (0.49) BRS3RAB9ANPC1CYP1A2CYP3A4
SCHEMBL713329 0.83 AGXT (0.36)
SCHEMBL719953 0.81 BRS3 (0.41) BRS3RAB9ANPC1CYP1A2CYP3A4
SCHEMBL712210 0.77 RAB9A (0.64) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL13358775 0.75 KMT2A (0.42) BRS3RAB9ANPC1CYP1A2CYP3A4
SCHEMBL3176688 0.75 AGXT (0.34)
SCHEMBL10578851 0.74 BRS3 (0.74) BRS3RAB9ANPC1CYP1A2CYP3A4
Azeloprazole SCHEMBL710150 0.73 KMT2A (0.40) BRS3RAB9ANPC1CYP1A2CYP3A4

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
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed