SCHEMBL7909023

SCHEMBL7909023

CC(C)c1cccc(C(C)C)c1N(C(=O)C(N)=O)c1c(C(C)C)cccc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
LMNA P02545 2/20 0.43
GABRB2 P47870 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL9177867 0.80 GABRA1 (0.46) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL9843890 0.79 SMN1; SMN2 (0.41) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL7937857 0.78 GABRA1 (0.45) GABRA1GABRG2GABRB3LMNAGABRB2
Hydrochloric Acid SCHEMBL4542716 0.76 SMN1; SMN2 (0.40) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL6624347 0.74 SLC9A1 (0.38) HPGDTSHRHTR2BKMT2ASLC9A1
SCHEMBL28944746 0.73 GABRA1 (0.34) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL19368005 0.72 GABRA1 (0.46) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL9723545 0.72 NPSR1 (0.47) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL28899514 0.72 GABRA1 (0.39) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL1275261 0.71 GABRA1 (0.50) GABRA1GABRG2GABRB3LMNAGABRB2

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
US-6303720-B1 E.G., NICKEL COMPLEX OF 2,3-BIS(2,6-DIMETHYLPHENYLIMINO)-(1,4)-DITHIANE EASTMAN CHEMICAL COMPANY 2001-10-16 US disclosed
US-6103658-A Olefin polymerization catalysts containing group 8-10 transition metals, processes employing such catalysts and polymers obtained therefrom EASTMAN CHEMICAL COMPANY (US) 2000-08-15 US disclosed