SCHEMBL25659397

SCHEMBL25659397

CC(=O)c1nccc(CBr)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SORD Q00796 3/20 0.41
CCR1 P32246 1/20 0.36
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.31
P2RX7 Q99572 1/20 0.31
KMO O15229 2/20 0.30
ALOX15 P16050 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
CTNNB1 P35222 1/20 0.30
WNT3A P56704 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
SCHEMBL25659071 0.83 SORD (0.42) SORDALDH1A1NPSR1P2RX7KMO
SCHEMBL25177349 0.83 KMO (0.45) CCR1ALDH1A1KMO
SCHEMBL17820819 0.83 SORD (0.42) SORDCCR1ALDH1A1NPSR1P2RX7
SCHEMBL17819972 0.81 SORD (0.41) SORDALDH1A1NPSR1P2RX7KMO
SCHEMBL31273643 0.81 CYP4F2 (0.43) ALDH1A1NPSR1ALOX15
SCHEMBL24920553 0.79 SORD (0.39) SORDKMO
SCHEMBL2350498 0.77 ATR (0.35) CCR1ALDH1A1ALOX15
SCHEMBL17820196 0.75 SORD (0.37) SORDALDH1A1
SCHEMBL31434157 0.74 CYP1A2 (0.40) SORDCYP1A2
SCHEMBL882972 0.73 MAPK8 (0.47) SORDALDH1A1NPSR1CYP1A2TSHR

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
WO-2023081232-A1 DRUG CONJUGATES AND METHODS OF PREPARING AND USING THE SAME ADCENTRX THERAPEUTICS INC. (US) 2023-05-11 WO disclosed