SCHEMBL7547642

SCHEMBL7547642

CCOc1cn[c]nc1-c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.42
S1PR1 P21453 1/20 0.40
GRM5 P41594 4/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
METAP1 P53582 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
DOHH Q9BU89 1/20 0.37
P4HTM Q9NXG6 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
SCHEMBL7546086 0.87 CYP2C9 (0.50) ADORA2AADORA1CYP1A2CYP2D6CYP19A1
SCHEMBL558176 0.85 SMN1; SMN2 (0.48) CBFBGAAMAPTKDM4ENPC1
SCHEMBL7546903 0.85 TRPM8 (0.40) GAAMAPTADORA2AADORA1KDM4E
SCHEMBL7550311 0.81 KDM4E (0.36) MAPTKDM4ENPC1CYP1A2LMNA
SCHEMBL7544593 0.81 TRPM8 (0.45) CBFBMAPTADORA1KDM4ENPC1
SCHEMBL4722126 0.80 MAPT (0.41) GRM5GAAMAPTADORA2AADORA1
SCHEMBL20985616 0.74 KDM4E (0.45) MAPTKDM4ENPC1CYP1A2LMNA
SCHEMBL4724523 0.73 S1PR1 (0.44) S1PR1POLB
SCHEMBL558611 0.73 KDM4E (0.43) MAPTKDM4ENPC1CYP1A2LMNA
SCHEMBL11546311 0.73 KDM4E (0.43) MAPTKDM4ENPC1CYP1A2LMNA

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