SCHEMBL7253017

SCHEMBL7253017

CC(C)CCn1cc(N(C(=O)c2ccc(C(N)=O)cc2)c2cc(C(=O)NCCC3=NCCCN3)n(CCC(C)C)c2)cc1C(=O)NCCC1=NCCCN1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MC4R P32245 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 1/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL5889469 0.82 RPS6KA2 (0.41) RPS6KA2ALDH1A1MEN1KMT2A
SCHEMBL7253013 0.81 ADRA1A (0.35) RPS6KA2ALDH1A1MEN1KMT2AHPGD
SCHEMBL6491631 0.80 LMNA (0.36) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL6502640 0.70 MEN1 (0.35) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL5889654 0.69 ITGB3 (0.37) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL6491374 0.65 HRAS (0.37)
SCHEMBL4032771 0.64 MAOB (0.49)
SCHEMBL5889470 0.63 RPS6KA2 (0.42) RPS6KA2ALDH1A1MEN1KMT2ALMNA
SCHEMBL7252709 0.62 TERT (0.40) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL7253018 0.61

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-2002000650-A9 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECH INC (US) 2003-03-06 WO disclosed