SCHEMBL9145407

SCHEMBL9145407

CC1=Cc2ccccc2C1C.[LiH]

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.40
DRD4 P21917 5/20 0.40
BRD4 O60885 1/20 0.39
CCL2 P13500 1/20 0.39
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP19A1 P11511 1/20 0.33
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HTR2A P28223 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
SCHEMBL251288 0.98 DRD2 (0.41) DRD2DRD4BRD4CCL2CYP11B1
SCHEMBL29458545 0.98 DRD2 (0.41) DRD2DRD4BRD4CCL2CYP11B1
SCHEMBL9148106 0.95 DRD2 (0.40) DRD2DRD4BRD4CCL2CYP11B1
Lithium SCHEMBL9145416 0.95 DRD2 (0.40) DRD2DRD4BRD4CCL2CYP11B1
SCHEMBL9148116 0.95 DRD2 (0.40) DRD2DRD4BRD4CCL2CYP11B1
Pyridine SCHEMBL27608193 0.85 CYP11B1 (0.41) DRD2DRD4BRD4CCL2CYP11B1
Maleic Acid SCHEMBL28893513 0.82 ALDH1A1 (0.42) BRD4CCL2LMNAALDH1A1SMN1; SMN2
SCHEMBL18394584 0.77 DRD2 (0.33) DRD2DRD4BRD4CCL2CYP11B1
SCHEMBL27988028 0.77 LMNA (0.34) DRD2DRD4CYP11B1CYP11B2CYP19A1
SCHEMBL8149969 0.76 LMNA (0.35) DRD2DRD4CYP11B1CYP11B2CYP19A1

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-5391660-A Narrow molecular weight distribution by addition polymerizing a olefin or mixtures in a catalysts mixtures having metal compounds, halometal compound and alumoxanes NIPPON OIL COMPANY, LIMITED (JP) 1995-02-21 US disclosed