SCHEMBL31469746

SCHEMBL31469746

CCC(Br)c1ccc(Cl)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 2/20 0.33
S1PR3 Q99500 2/20 0.33
GLA P06280 1/20 0.33
S1PR1 P21453 1/20 0.33
PTK2 Q05397 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
APLNR P35414 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL21014315 0.80 ESR1 (0.46) ESR1ESR2TSHRL3MBTL1MAPK1
SCHEMBL18264342 0.78 TSHR (0.40) ESR1ESR2TSHRL3MBTL1MAPK1
SCHEMBL19464637 0.78 MAPT (0.42) ESR1ESR2TSHRL3MBTL1MAPK1
SCHEMBL13677282 0.78 MAPT (0.42) ESR1ESR2TSHRL3MBTL1MAPK1
SCHEMBL18264361 0.78 TSHR (0.40) ESR1ESR2TSHRL3MBTL1MAPK1
SCHEMBL13104799 0.78 MAPT (0.42) ESR1ESR2TSHRL3MBTL1MAPK1
SCHEMBL30328253 0.78 FDPS (0.37) L3MBTL1MAPK1S1PR3S1PR1PTK2
SCHEMBL1791801 0.78 FDPS (0.37) L3MBTL1MAPK1S1PR3S1PR1PTK2
SCHEMBL31469780 0.77 S1PR3 (0.32) S1PR3S1PR1
SCHEMBL23126409 0.74 CHRM2 (0.47) ESR1ESR2TSHRL3MBTL1S1PR3

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-2025030002-A2 DGK TARGETING COMPOUNDS AND USES THEREOF ARVINAS OPERATIONS, INC. (US) 2025-02-06 WO disclosed