SCHEMBL3081616

SCHEMBL3081616

CCC(OCCO)N1C=CC(c2c3nc(c(C4=CCN(C(CC)OCCO)C=C4)c4ccc([nH]4)c(C4=CCN(C(CC)OCCO)C=C4)c4nc(c(C5=CCN(C(CC)OCCO)C=C5)c5ccc2[nH]5)C=C4)C=C3)=CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.34
ABCG2 Q9UNQ0 1/20 0.30
TOP1 P11387 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
SCHEMBL3083113 0.87 TERT (0.36) TERTABCG2TOP1
SCHEMBL7589352 0.72 TERT (0.40) TERTTOP1
Hydrochloric Acid SCHEMBL8187817 0.72 TERT (0.40) TERTTOP1
Hydrochloric Acid SCHEMBL8183377 0.71 TERT (0.40) TERTTOP1
SCHEMBL30417810 0.71 TERT (0.40) TERTTOP1
SCHEMBL29677253 0.70 TERT (0.44) TERTTOP1
SCHEMBL30417440 0.69 TERT (0.39) TERTTOP1
SCHEMBL30417480 0.69 TERT (0.43) TERTTOP1
Hydrochloric Acid SCHEMBL30474599 0.69 TERT (0.43) TERTTOP1
SCHEMBL6759942 0.64 TERT (0.47) TERTABCG2TOP1

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-7799568-B2 Authentication of products using molecularly imprinted polymers THE JOHNS HOPKINS UNIVERSITY (US) 2010-09-21 US disclosed
US-5271764-A Ink compositions XEROX CORPORATION (US) 1993-12-21 US disclosed