Sugi Predict

Sugi Predict / Compounds / SCHEMBL29956022

SCHEMBL29956022

SCHEMBL29956022

O=Cc1ccnc(CCl)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ CCR1 P32246 2/20 0.39
▸ S1PR4 O95977 2/20 0.33
▸ MPI P34949 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ FGFR4 P22455 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
SCHEMBL29950723 0.80 ALDH1A1 (0.39) ALDH1A1CCR1S1PR4MPIKMT2A
SCHEMBL24915248 0.80 ALDH1A1 (0.39) ALDH1A1CCR1S1PR4MPIKMT2A
SCHEMBL28281051 0.80 ALDH1A1 (0.39) ALDH1A1CCR1S1PR4MPIKMT2A
SCHEMBL29950759 0.80 SORD (0.46) ALDH1A1CCR1MPIKMT2A
SCHEMBL29957282 0.77 ALDH1A1 (0.37) ALDH1A1CCR1MPIKMT2A
SCHEMBL28224216 0.77 ALDH1A1 (0.37) ALDH1A1CCR1S1PR4MPIKMT2A
SCHEMBL29956619 0.76 ALDH1A1 (0.36) ALDH1A1CCR1S1PR4MPIKMT2A
SCHEMBL2558361 0.76 ALDH1A1 (0.36) ALDH1A1CCR1MPIKMT2A
SCHEMBL29954755 0.76 CCR1 (0.39) ALDH1A1CCR1MPIKMT2A
SCHEMBL29955867 0.74 ALDH1A1 (0.35) ALDH1A1CCR1KMT2A

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed