SCHEMBL8567845

SCHEMBL8567845

CN(C)Cc1cccnc1-c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
CYP1A2 P05177 5/20 0.43
LMNA P02545 3/20 0.43
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 0.43
CCR8 P51685 2/20 0.43
POLB P06746 1/20 0.43
METAP1 P53582 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
NPC1 O15118 3/20 0.42
TRPV1 Q8NER1 1/20 0.41
CYP2D6 P10635 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL17729908 0.83 TRPV1 (0.44) KDM4ECYP1A2LMNACCR1CCR5
SCHEMBL5089682 0.80 KDM4E (0.48) KDM4ECYP1A2LMNACCR1CCR5
SCHEMBL30551751 0.80 KDM4E (0.48) KDM4ECYP1A2LMNACCR1CCR5
Iodide SCHEMBL8962203 0.79 KDM4E (0.46) KDM4ECYP1A2LMNACCR1CCR5
SCHEMBL28666557 0.77 KDM4E (0.45) KDM4ECYP1A2LMNACCR1CCR5
SCHEMBL30835128 0.77 KDM4E (0.45) KDM4ECYP1A2LMNACCR1CCR5
SCHEMBL1275952 0.77 DPP4 (0.57) KDM4ECYP1A2LMNACCR1CCR5
SCHEMBL4782258 0.77 KDM4E (0.48) KDM4ECYP1A2LMNACCR1CCR5
SCHEMBL7036968 0.77 KDM4E (0.48) KDM4ECYP1A2LMNACCR1CCR5
SCHEMBL7855103 0.77 KDM4E (0.48) KDM4ECYP1A2LMNACCR1CCR5

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
EP-0885183-A1 PROCESS FOR PRODUCING ALDEHYDES BY HYDROFORMYLATION OF OLEFINS BASF AKTIENGESELLSCHAFT (DE) 1998-12-23 EP disclosed
WO-1997028113-A1 PROCESS FOR PRODUCING ALDEHYDES BY HYDROFORMYLATION OF OLEFINS BASF AKTIENGESELLSCHAFT (DE) 1997-08-07 WO disclosed