Sugi Predict

Sugi Predict / Compounds / SCHEMBL16674418

SCHEMBL16674418

SCHEMBL16674418

CCCCCCCCc1cc(-c2sc(-c3ccc4c(c3)N(CC(CCCCCC)CCCCCCCC)C(=O)/C4=C3/C(=O)N(CC(CCCCCC)CCCCCCCC)c4cc(-c5cc(CCCCCCCC)c(-c6cc(CCCCCCCC)c(Br)s6)s5)ccc43)cc2CCCCCCCC)sc1Br

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 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
SCHEMBL16668725 1.00 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL13058822 0.96 NR1H2 (0.33) NR1H2NR1H3
SCHEMBL16668594 0.96 NR1H2 (0.33) NR1H2NR1H3
SCHEMBL16668598 0.96 NR1H2 (0.33) NR1H2NR1H3
SCHEMBL13058845 0.91 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL15827138 0.90 KDM4E (0.36) NR1H2NR1H3
SCHEMBL13058844 0.88 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL13058824 0.87 NR1H2 (0.32) NR1H2NR1H3
SCHEMBL16674419 0.86 — —
SCHEMBL13058843 0.86 KDM4E (0.34) —

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-20150114467-A1 DONOR-ACCEPTOR ALTERNATING CONJUGATED POLYMER AND SOLAR CELL DEVICE MANUFACTURED BY USING THE SAME NATIONAL TAIWAN UNIVERSITY (TW) 2015-04-30 — — US disclosed
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