SCHEMBL31384013

SCHEMBL31384013

CC1=CCOc2cccc(Br)c21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 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
SCHEMBL8404604 0.81 MAP3K14 (0.37) ALDH1A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL22669735 0.75 NR3C1 (0.42) ALDH1A1
SCHEMBL294470 0.68 PKM (0.42) ADRA2A
SCHEMBL29474944 0.68 PKM (0.42) ADRA2A
SCHEMBL31383960 0.67 KDM4E (0.40) ALDH1A1
SCHEMBL3263897 0.67 PKM (0.41) ADRA2A
SCHEMBL3260210 0.67 PKM (0.41) ADRA2A
SCHEMBL2960043 0.67 ALDH1A1 (0.34) ALDH1A1
SCHEMBL31383969 0.67 ALDH1A1 (0.34) ALDH1A1
SCHEMBL23980631 0.65 ALDH1A1 (0.33) ALDH1A1

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-2025064802-A1 INHIBITING HUMAN INTEGRIN α5β1 MORPHIC THERAPEUTIC, INC. (US) 2025-03-27 WO disclosed