SCHEMBL6678441

SCHEMBL6678441

Cc1cc(C)c(N2[C]N(c3cccc4ccccc34)C=C2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.42
CYP2A6 P11509 4/20 0.42
ALDH1A1 P00352 7/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.35
POLB P06746 1/20 0.34
PHGDH O43175 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
SCHEMBL6678527 0.82 POLB (0.46) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL34511 0.77 SELL (0.36) ALDH1A1MAPTKDM4ESMN1; SMN2POLB
SCHEMBL6678739 0.74 DPP4 (0.35) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL1007016 0.73 TSHR (0.48) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL6680960 0.71 POLB (0.37) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL1005445 0.67 ALDH1A1 (0.43) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL919716 0.67 CYP1A2 (0.38) CYP1A2CYP2A6ALDH1A1HPGDMAPT
SCHEMBL919718 0.67 CYP1A2 (0.38) CYP1A2CYP2A6ALDH1A1HPGDMAPT
SCHEMBL6678521 0.66 C5AR1 (0.40) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL18527604 0.65 CYP2D6 (0.35) ALDH1A1HSD17B10HPGDMAPTKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093475-B1 CATALYST FOR THE POLYMERISATION OF OLEFINS BOREALIS TECH OY (FI) 2004-11-17 EP disclosed
US-6613851-B1 Cyclic carbene- eta -ligand complexes for catalysis of olefin polymerization. BOREALIS TECHNOLOGY OY (FI) 2003-09-02 US disclosed
WO-2000078826-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2000-12-28 WO disclosed