SCHEMBL25976223

SCHEMBL25976223

Cc1cnn(CCC(=O)NC(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
GAA P10253 5/20 0.53
KMT2A Q03164 4/20 0.53
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 2/20 0.49
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.46
CYP2C9 P11712 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
PLAA Q9Y263 1/20 0.42
MAPK1 P28482 1/20 0.40
DUT P33316 1/20 0.37

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
SCHEMBL25976177 0.86 ALPI (0.48) SMN1; SMN2LMNAHTTGAAKMT2A
SCHEMBL19087047 0.83 HTT (0.60) SMN1; SMN2LMNAHTTGAAKMT2A
SCHEMBL10175541 0.77 LMNA (0.54) SMN1; SMN2LMNAHTTGAAKMT2A
SCHEMBL6937303 0.77 LMNA (0.54) SMN1; SMN2LMNAHTTGAAKMT2A
SCHEMBL18534152 0.76 LMNA (0.53) SMN1; SMN2LMNAHTTGAAKMT2A
SCHEMBL31124644 0.76 LMNA (0.47) SMN1; SMN2LMNAHTTGAAKMT2A
SCHEMBL19087158 0.76 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTGAAKMT2A
Hydrochloric Acid SCHEMBL28842191 0.76 LMNA (0.52) SMN1; SMN2LMNAHTTGAAKMT2A
SCHEMBL19087087 0.74 L3MBTL1 (0.56) SMN1; SMN2LMNAHTTGAAKMT2A
SCHEMBL26085647 0.74 LMNA (0.55) SMN1; SMN2LMNAHTTGAAKMT2A

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-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed