SCHEMBL7947548

SCHEMBL7947548

CC1=CC(N=C=O)(N=C=O)C=CC1c1ccccc1C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.34
BACE1 P56817 1/20 0.34
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL7115170 0.82
SCHEMBL20817207 0.67 HTR2A (0.33)
SCHEMBL1432099 0.66 MAPT (0.33)
SCHEMBL8469335 0.58 HTT (0.35)
O-Xylene SCHEMBL27497580 0.56 TSHR (0.56)
SCHEMBL17393757 0.56 ACHE (0.47) DDB1CRBN
SCHEMBL9849476 0.54 TSHR (0.45) DDB1CRBN
SCHEMBL20955661 0.53
SCHEMBL20566162 0.52 HTR2C (0.35) GSK3BBACE1DDB1CRBN
SCHEMBL272718 0.52 TRPM8 (0.38)

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
WO-2001000723-A1 POLYISOCYANATE-POLYADDITION PRODUCTS BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
US-4390644-A O-SULFONIUM PHENOXIDE THE DOW CHEMICAL COMPANY (US) 1983-06-28 US disclosed