SCHEMBL7546075

SCHEMBL7546075

[CH](CCc1ncc2ccccc2n1)CCc1ncc2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
GPR3 P46089 1/20 0.38
EGFR P00533 1/20 0.38
PDE10A Q9Y233 2/20 0.37
CYP1A2 P05177 4/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
HTR3A P46098 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 1/20 0.34
TLR8 Q9NR97 1/20 0.33
FDPS P14324 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL5741619 0.79 KDM4E (0.39) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL30553021 0.79 KDM4E (0.39) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL6665065 0.79 LOXL2 (0.41) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL9971271 0.79 KDM4E (0.44) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL30918003 0.78 HTR2C (0.49) KDM4EGPR3EGFRRAB9A
SCHEMBL27374635 0.78 HTR2C (0.49) KDM4EGPR3EGFRRAB9A
SCHEMBL8501798 0.76 KDM4E (0.37) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL7548524 0.76 KDM4E (0.37) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL7074398 0.76 KDM4E (0.37) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL7069013 0.76 TLR8 (0.49) KDM4EALDH1A1MAPTHPGDTLR8

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