SCHEMBL4513748

SCHEMBL4513748

Cc1ccc(C2=N[C@@H](CCCN)CN2[C@@H](c2nc3ccccc3c(=O)n2Cl)C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KIF11 P52732 3/20 0.37
▸ MAP1LC3B Q9GZQ8 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TSHR P16473 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL4513752 1.00 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AKIF11MAP1LC3B
SCHEMBL5362757 0.82 KIF11 (0.55) ALDH1A1MEN1KMT2AKIF11MAP1LC3B
SCHEMBL5362764 0.82 KIF11 (0.55) ALDH1A1MEN1KMT2AKIF11MAP1LC3B
SCHEMBL5447775 0.82 KIF11 (0.55) ALDH1A1MEN1KMT2AKIF11MAP1LC3B
SCHEMBL4531455 0.81 PIK3CD (0.40) ALDH1A1MEN1KMT2AKIF11MAP1LC3B
SCHEMBL4532582 0.69 KIF11 (0.46) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4518757 0.67 KIF11 (0.51) ALDH1A1MEN1KMT2AKIF11MAP1LC3B
SCHEMBL4518754 0.67 KIF11 (0.51) ALDH1A1MEN1KMT2AKIF11MAP1LC3B
SCHEMBL6314431 0.62 MEN1 (0.67) ALDH1A1MEN1KMT2ARXFP1MAPT
SCHEMBL6313235 0.60 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ACYP2C19SMN1; 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
US-7528137-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-05-05 — — US disclosed
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