SCHEMBL30207461

SCHEMBL30207461

CC(C)(C)OC(=O)N1CCN(C(=O)CC2(O)CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 4/20 0.50
SLC6A9 P48067 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ENPP2 Q13822 4/20 0.41
MET P08581 1/20 0.40
MC4R P32245 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
HTR7 P34969 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL23783375 1.00 ALDH1A1 (0.50) ALDH1A1MAPTLMNASLC6A9SMN1; SMN2
SCHEMBL23538624 0.87 SLC6A9 (0.42) ALDH1A1MAPTLMNASLC6A9SMN1; SMN2
SCHEMBL29744740 0.87 SLC6A9 (0.42) ALDH1A1MAPTLMNASLC6A9SMN1; SMN2
SCHEMBL993182 0.87 LMNA (0.65) ALDH1A1MAPTLMNASLC6A9SMN1; SMN2
SCHEMBL30890284 0.87 LMNA (0.65) ALDH1A1MAPTLMNASLC6A9SMN1; SMN2
Lithium SCHEMBL29946996 0.86 SLC6A9 (0.42) ALDH1A1MAPTLMNASLC6A9SMN1; SMN2
SCHEMBL23783397 0.85 NR1H2 (0.41) MAPTSMN1; SMN2
SCHEMBL30207588 0.85 NR1H2 (0.41) MAPTSMN1; SMN2
SCHEMBL13419584 0.83 ALDH1A1 (0.60) ALDH1A1MAPTLMNASLC6A9SMN1; SMN2
SCHEMBL23538488 0.82 SLC6A9 (0.46) ALDH1A1MAPTLMNASLC6A9SMN1; SMN2

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
EP-4114392-A1 COMPOUNDS FOR TARGETED DEGRADATION OF BRD9 C4 Therapeutics, Inc. (US) 2023-01-11 EP disclosed