SCHEMBL7546903

SCHEMBL7546903

CC(C)COc1cn[c]nc1-c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 8/20 0.40
TLR8 Q9NR97 1/20 0.38
PDE5A O76074 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 3/20 0.35
NPC1 O15118 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNA7 P36544 1/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL7547642 0.85 CBFB (0.42) SMN1; SMN2POLBNPC1TDP1GAA
SCHEMBL7544593 0.83 TRPM8 (0.45) TRPM8TLR8SMN1; SMN2POLBNPC1
SCHEMBL558176 0.81 SMN1; SMN2 (0.48) TRPM8SMN1; SMN2POLBNPC1TDP1
SCHEMBL7546086 0.81 CYP2C9 (0.50) TLR8PDE5APDE4APDE4BPDE4C
SCHEMBL7550311 0.78 KDM4E (0.36) TRPM8SMN1; SMN2POLBNPC1TDP1
SCHEMBL16173622 0.72 PDE5A (0.53) TRPM8TLR8PDE5APDE4APDE4B
SCHEMBL20985616 0.71 KDM4E (0.45) SMN1; SMN2POLBNPC1TDP1ALDH1A1
SCHEMBL558611 0.70 KDM4E (0.43) SMN1; SMN2POLBNPC1TDP1ALDH1A1
SCHEMBL11546311 0.70 KDM4E (0.43) SMN1; SMN2POLBNPC1TDP1ALDH1A1
SCHEMBL3922236 0.67 KDM4E (0.39) SMN1; SMN2POLBNPC1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002043680-A1 FIXATION OF CARBOHYDRATES TO FIBROUS MATERIALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-06-06 WO disclosed
WO-2002043678-A2 ENZYMATIC FIXATION OF DERIVATISED CARBOHYDRATES TO FIBROUS MATERIALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-06-06 WO disclosed