SCHEMBL10001937

SCHEMBL10001937

C=C1C=Cc2c(C)cc(NC(=O)CN(CCN3CCOCCN(CCN(COC=O)CC(=O)NC(CSS(C)(=O)=O)C(=O)O)CC3)CC(=O)O)cc2N1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 2/20 0.31

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
SCHEMBL10001943 0.83 PAK1 (0.31) —
SCHEMBL10001944 0.81 PAK1 (0.33) —
SCHEMBL10001936 0.76 TERT (0.39) CASR
SCHEMBL10001933 0.72 PAK1 (0.40) —
SCHEMBL10001925 0.71 PAK1 (0.39) —
SCHEMBL10001922 0.67 PAK1 (0.41) —
SCHEMBL14530618 0.66 TERT (0.39) CASR
SCHEMBL10001932 0.66 PAK1 (0.40) —
SCHEMBL10035653 0.60 TERT (0.54) —
SCHEMBL10001935 0.60 TERT (0.47) CASR

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-8110404-B2 Luminescent lanthanide binding chelates BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-07 — — US disclosed
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