SCHEMBL7550311

SCHEMBL7550311

CC(C)(C)Oc1cn[c]nc1-c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.36
NPC1 O15118 3/20 0.36
LMNA P02545 5/20 0.36
POLB P06746 3/20 0.36
CCR1 P32246 3/20 0.36
CCR5 P51681 3/20 0.36
CCR8 P51685 3/20 0.36
CYP1A2 P05177 1/20 0.36
METAP1 P53582 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
DOHH Q9BU89 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
L3MBTL1 Q9Y468 5/20 0.36
HTT P42858 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 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
SCHEMBL558176 0.84 SMN1; SMN2 (0.48) KDM4ENPC1LMNAPOLBCCR1
SCHEMBL7547642 0.81 CBFB (0.42) KDM4ENPC1LMNAPOLBCCR1
SCHEMBL7544593 0.80 TRPM8 (0.45) KDM4ENPC1LMNAPOLBCCR1
SCHEMBL7546903 0.78 TRPM8 (0.40) KDM4ENPC1LMNAPOLBCCR1
SCHEMBL7546086 0.78 CYP2C9 (0.50) CYP1A2
SCHEMBL20985616 0.73 KDM4E (0.45) KDM4ENPC1LMNAPOLBCCR1
SCHEMBL558611 0.72 KDM4E (0.43) KDM4ENPC1LMNAPOLBCCR1
SCHEMBL11546311 0.72 KDM4E (0.43) KDM4ENPC1LMNAPOLBCCR1
SCHEMBL3922236 0.69 KDM4E (0.39) KDM4ENPC1LMNAPOLBCCR1
SCHEMBL18952801 0.69 L3MBTL1 (0.46) KDM4ENPC1LMNAPOLBCCR1

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