SCHEMBL6333313

SCHEMBL6333313

CC(C)Cc1ccc(Oc2cccc(N)c2N)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.41
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CARM1 Q86X55 3/20 0.37
PRMT6 Q96LA8 3/20 0.37
RCE1 Q9Y256 1/20 0.36
EPHX1 P07099 1/20 0.35
IKBKB O14920 1/20 0.35
BRAF P15056 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
MAOA P21397 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL18655471 0.87 GAA (0.49) SLC6A4GAAALDH1A1CARM1PRMT6
SCHEMBL6323002 0.85 TAAR1 (0.46) GAAALDH1A1RCE1TAAR1
SCHEMBL8824338 0.82 GAA (0.41) GAAALDH1A1RCE1IKBKBBRAF
SCHEMBL8685747 0.79 ALDH1A1 (0.43) GAAALDH1A1BCHEACHE
SCHEMBL6327218 0.79 IDO1 (0.41) GAAALDH1A1RCE1IKBKBBRAF
SCHEMBL6325557 0.77 ESR1 (0.33) GAAALDH1A1RCE1IKBKBBRAF
SCHEMBL6333310 0.77 CYP1A2 (0.46)
SCHEMBL6327869 0.76 GABRA1 (0.42) SLC6A4GAAALDH1A1SLC6A2SLC6A3
SCHEMBL6332514 0.76 GAA (0.37) GAAALDH1A1CARM1PRMT6RCE1
SCHEMBL4575613 0.75 SLC6A4 (0.48) SLC6A4EPHX1

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-20050272608-A1 Polyimide metal laminate and its production method MITSUI CHEMICALS, INC. (JP) 2005-12-08 US disclosed