SCHEMBL4787403

SCHEMBL4787403

C[C](c1cc(C)on1)c1cc(C)n(C)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.45
RAB9A P51151 4/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
CHRNA4 P43681 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.33
MEN1 O00255 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
SCHEMBL4650919 0.70 BAZ2B (0.46) BAZ2BRAB9ANPC1KDM4EGAA
SCHEMBL17051152 0.70 BAZ2B (0.53) BAZ2BRAB9ANPC1KDM4EGAA
SCHEMBL357627 0.70 BAZ2B (0.63) BAZ2BRAB9ANPC1KDM4EGAA
SCHEMBL26847564 0.69 ALDH1A1 (0.38) BAZ2BRAB9AMAPTNPC1POLB
SCHEMBL27787704 0.67 BAZ2B (0.66) BAZ2BRAB9ANPC1KDM4EGAA
SCHEMBL15761273 0.67 BAZ2B (0.50) BAZ2BRAB9AMAPTNPC1KDM4E
SCHEMBL17134054 0.67 BAZ2B (0.50) BAZ2BRAB9AMAPTNPC1KDM4E
SCHEMBL19143370 0.66 BAZ2B (0.53) BAZ2BRAB9ANPC1KDM4EGAA
SCHEMBL222289 0.66 BAZ2B (0.63) BAZ2BRAB9ANPC1POLBKDM4E
SCHEMBL4787405 0.66 BCHE (0.41) RAB9AMAPTNPC1POLBKDM4E

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-2008098859-A1 HCV POLYMERASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO disclosed