SCHEMBL20045535

SCHEMBL20045535

Cc1cc(Cl)c(Br)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
AR P10275 1/20 0.36
AHR P35869 2/20 0.35
TSHR P16473 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
S1PR3 Q99500 3/20 0.33
CSNK2A1 P68400 2/20 0.33
LRRK2 Q5S007 1/20 0.32
SLC22A12 Q96S37 2/20 0.32
PGK1 P00558 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
SCHEMBL2480303 0.92 ALDH1A1 (0.36) ALDH1A1ARAHRTSHRTRPV4
SCHEMBL13868310 0.85 CD44 (0.41) ALDH1A1ARTSHRTRPV4S1PR3
SCHEMBL23754017 0.83 TRPV4 (0.39) ALDH1A1ARTSHRTRPV4SLC22A12
SCHEMBL6948318 0.82 TSHR (0.41) ALDH1A1ARTSHRTRPV4S1PR3
SCHEMBL1343876 0.80 TSHR (0.39) ALDH1A1TSHRS1PR3
SCHEMBL30702008 0.80 TSHR (0.39) ALDH1A1TSHRS1PR3
SCHEMBL119203 0.79 TSHR (0.50) ALDH1A1ARTSHRTRPV4
SCHEMBL1343737 0.78 TSHR (0.41) ALDH1A1TSHRS1PR3
SCHEMBL18179223 0.78 TRPV4 (0.45) ALDH1A1ARTSHRTRPV4SLC22A12
SCHEMBL24252420 0.77 CD44 (0.38) ALDH1A1ARTSHRTRPV4SLC22A12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117858707-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 CN disclosed
WO-2018068017-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-04-12 WO disclosed