SCHEMBL30207477

SCHEMBL30207477

CC(C)(C)OC(=O)N1CC=C(C2=CCN(c3ccc([N+](=O)[O-])cc3F)CC2)C(F)(F)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 4/20 0.43
▸ LMNA P02545 4/20 0.43
▸ THRB P10828 1/20 0.42
▸ POLB P06746 2/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ GRM1 Q13255 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ SLC6A5 Q9Y345 7/20 0.38
▸ SLC6A9 P48067 6/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CDK9 P50750 1/20 0.36

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
SCHEMBL23783392 1.00 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTLMNATHRB
SCHEMBL30255499 0.84 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTLMNATHRB
SCHEMBL31701825 0.83 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTLMNATHRB
SCHEMBL31334845 0.82 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTLMNATHRB
SCHEMBL994347 0.78 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTLMNATHRB
SCHEMBL29536266 0.78 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTLMNATHRB
SCHEMBL29197802 0.77 ALDH1A1 (0.52) ALDH1A1MAPTLMNAMAPK1
SCHEMBL29179922 0.76 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTLMNATHRB
SCHEMBL10036179 0.76 PDK4 (0.51) ALDH1A1MAPTLMNAGRM5GRM1
SCHEMBL29535433 0.76 PDK4 (0.51) ALDH1A1MAPTLMNAGRM5GRM1

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
CN-119823124-A Compounds for targeted degradation of BRD9 C4医药公司 2025-04-15 — — CN disclosed
CN-115279370-B Compounds for targeted degradation of BRD9 C4医药公司 2025-01-10 — — CN disclosed
EP-4114392-A1 COMPOUNDS FOR TARGETED DEGRADATION OF BRD9 C4 Therapeutics, Inc. (US) 2023-01-11 — — EP disclosed
Send feedback