SCHEMBL30702008

SCHEMBL30702008

Cc1cc(C)c(C#N)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 2/20 0.31
ERBB2 P04626 2/20 0.31
EGLN2 Q96KS0 1/20 0.31
GPR35 Q9HC97 1/20 0.31
POLB P06746 1/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
KDM1A O60341 1/20 0.30
S1PR3 Q99500 2/20 0.30
LMNA P02545 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
SCHEMBL1343876 1.00 TSHR (0.39) TSHRMEN1KMT2ATTRALB
SCHEMBL1343737 0.93 TSHR (0.41) TSHRMEN1KMT2ATTRALB
SCHEMBL4203403 0.85 TSHR (0.46) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL119203 0.84 TSHR (0.50) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5945887 0.82 TSHR (0.48) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL23754017 0.80 TRPV4 (0.39) TSHRL3MBTL1ALDH1A1MAOB
SCHEMBL12414780 0.80 TSHR (0.41) TSHRMEN1KMT2ATTRALB
SCHEMBL1852407 0.80 MEN1 (0.39) TSHRMEN1KMT2ATTRALB
SCHEMBL20045535 0.80 ALDH1A1 (0.36) TSHRALDH1A1S1PR3
SCHEMBL178611 0.80 TRPV4 (0.45) TSHREGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 CN disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 WO disclosed