SCHEMBL7548858

SCHEMBL7548858

C=[C]c1ncc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
GPR3 P46089 1/20 0.42
EGFR P00533 1/20 0.42
CYP1A2 P05177 6/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 1/20 0.39
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
NCF1 P14598 1/20 0.34
NOS2 P35228 1/20 0.34
BACE1 P56817 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
GRM5 P41594 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL2773608 0.79 KDM4E (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL29947454 0.79 ALDH1A1 (0.43) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL223540 0.79 CYP1A2 (0.43) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL1996212 0.79 ALDH1A1 (0.43) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL6005051 0.79 KDM4E (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL30824520 0.79 KDM4E (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL32679238 0.75 GRM5 (0.45) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL32679239 0.75 GRM5 (0.45) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL32679237 0.75 GRM5 (0.45) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL196150 0.71 KDM4E (0.46) KDM4EGPR3EGFRCYP1A2ALDH1A1

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