SCHEMBL6678739

SCHEMBL6678739

Cc1cc(C)c(N2[C]N(c3ccccc3)C=C2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
ACHE P22303 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
BLM P54132 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL34511 0.84 SELL (0.36) MAPTALDH1A1LMNAKDM4E
SCHEMBL1007068 0.78 KDM4E (0.35) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL6678521 0.76 C5AR1 (0.40) MAPTALDH1A1LMNATSHR
SCHEMBL8028616 0.75 GABRA1 (0.37) CYP1A2ALDH1A1TSHR
SCHEMBL18527604 0.74 CYP2D6 (0.35) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL6678441 0.74 CYP1A2 (0.42) NPC1RAB9AMAPTCYP1A2CYP2A6
SCHEMBL6680158 0.73 HRH3 (0.32) MAPTALDH1A1KDM4E
SCHEMBL1155762 0.72 CYP2A6 (0.38) DPP4MAPTCYP1A2CYP2A6ALDH1A1
SCHEMBL223852 0.69 ELANE (0.42) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL6677918 0.69

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 4 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
EP-1093475-A1 CATALYST FOR THE POLYMERISATION OF OLEFINS Borealis Technology Oy (FI) 2001-04-25 EP disclosed
WO-2000078826-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2000-12-28 WO disclosed
WO-2000001739-A1 CATALYST FOR THE POLYMERISATION OF OLEFINS BOREALIS TECHNOLOGY OY (FI) 2000-01-13 WO disclosed