SCHEMBL4448723

SCHEMBL4448723

[Cr].c1ccc(CN2CN(Cc3ccccc3)CN(Cc3ccccc3)C2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.68
MC4R P32245 1/20 0.56
DRD4 P21917 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
FUCA1 P04066 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ACHE P22303 1/20 0.52
MEN1 O00255 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CCR3 P51677 1/20 0.50

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
SCHEMBL1639911 0.97 SIGMAR1 (0.71) SIGMAR1MC4RDRD4LMNAPOLB
Hydrochloric Acid SCHEMBL1071013 0.92 SIGMAR1 (0.65) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL301699 0.87 SIGMAR1 (0.81) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL11053834 0.83 SIGMAR1 (0.67) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL28100068 0.81 SIGMAR1 (0.59) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL6400259 0.81 MC4R (0.64) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1041303 0.81 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL242970 0.81 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL8188324 0.81 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL2489199 0.81 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618912-B2 Preparation of supported catalyst systems BASELL POLYOLEFINE GMBH (DE) 2009-11-17 US claimed