SCHEMBL6065087

SCHEMBL6065087

Cc1cc(C)c(NCCN(CCNc2c(C(C)C)cccc2C(C)C)Cc2ccccn2)c(C)c1.[Co]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LIN28A Q9H9Z2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIP4K2C Q8TBX8 4/20 0.41
ACHE P22303 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
RECQL P46063 1/20 0.36
DUSP3 P51452 1/20 0.35
KMT2A Q03164 1/20 0.35
PTPN11 Q06124 1/20 0.35
CYP1A2 P05177 1/20 0.33
USP1 O94782 1/20 0.33
WDR48 Q8TAF3 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL812715 0.98 MAPT (0.41) MAPTSMN1; SMN2LIN28ATDP1PIP4K2C
Bromide SCHEMBL813757 0.97 PIP4K2C (0.40) MAPTSMN1; SMN2LIN28ATDP1PIP4K2C
Hydrochloric Acid SCHEMBL813300 0.93 MAPT (0.42) MAPTSMN1; SMN2LIN28ATDP1PIP4K2C
Bromide SCHEMBL813434 0.92 MAPT (0.41) MAPTSMN1; SMN2LIN28ATDP1PIP4K2C
SCHEMBL813114 0.91 SMN1; SMN2 (0.49) MAPTSMN1; SMN2LIN28ATDP1PIP4K2C
Hydrochloric Acid SCHEMBL814317 0.90 SMN1; SMN2 (0.43) MAPTSMN1; SMN2LIN28ATDP1PIP4K2C
SCHEMBL814968 0.90 MAPT (0.46) MAPTSMN1; SMN2LIN28ATDP1PIP4K2C
SCHEMBL813271 0.90 MAPT (0.50) MAPTSMN1; SMN2LIN28ATDP1CYP2C19
Hydrochloric Acid SCHEMBL812428 0.90 SMN1; SMN2 (0.50) MAPTSMN1; SMN2LIN28ATDP1PIP4K2C
Hydrochloric Acid SCHEMBL815434 0.90 SMN1; SMN2 (0.39) MAPTSMN1; SMN2LIN28ATDP1PIP4K2C

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-1641842-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND Exxonmobil Chemical Patents Inc. (US) 2006-04-05 EP disclosed
WO-2004106390-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed