SCHEMBL29956628

SCHEMBL29956628

Cc1nccc(C=O)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 1/20 0.35
TRIM24 O15164 2/20 0.35
TRIM33 Q9UPN9 2/20 0.35
KCNJ1 P48048 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
AOX1 Q06278 1/20 0.33
CYP2A6 P11509 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
SCHEMBL4796219 0.78 CCR1 (0.54) CCR1CCR5CCR8ALDH1A1LMNA
SCHEMBL29955416 0.78 CCR1 (0.48) CCR1CCR5CCR8ALDH1A1LMNA
SCHEMBL28114355 0.78 CCR1 (0.48) CCR1CCR5CCR8ALDH1A1LMNA
SCHEMBL29956349 0.77 CCR1 (0.47) CCR1CCR5CCR8LMNATRIM24
SCHEMBL1637824 0.77 CCR1 (0.47) CCR1CCR5CCR8ALDH1A1LMNA
SCHEMBL29953562 0.77 CCR1 (0.47) CCR1CCR5CCR8ALDH1A1LMNA
SCHEMBL23803936 0.76 CCR1 (0.42) CCR1CCR5CCR8ALDH1A1TSHR
SCHEMBL29936036 0.76 CCR1 (0.42) CCR1CCR5CCR8ALDH1A1TSHR
SCHEMBL17512179 0.75 TRIM24 (0.53) CCR1CCR5CCR8ALDH1A1LMNA
Water SCHEMBL13275515 0.75 CCR1 (0.45) CCR1CCR5CCR8ALDH1A1LMNA

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