SCHEMBL5495634

SCHEMBL5495634

CC(C)[C@@H](C)Nc1c(-c2ccc3c(c2Cl)COC3=O)c(Cl)nc2ncnn12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31
USP2 O75604 1/20 0.30
POLB P06746 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
SCHEMBL5495636 1.00 LMNA (0.32) LMNAHPGDTSHRL3MBTL1ALDH1A1
SCHEMBL5329915 0.92 LMNA (0.35) LMNAHPGDTSHRL3MBTL1ALDH1A1
SCHEMBL5328138 0.91 AAK1 (0.32) LMNAHPGDTSHRL3MBTL1ALDH1A1
SCHEMBL5328145 0.91 AAK1 (0.32) LMNAHPGDTSHRL3MBTL1ALDH1A1
SCHEMBL5331106 0.89 CRHR1 (0.32) LMNAHPGDTSHRL3MBTL1ALDH1A1
SCHEMBL5328032 0.82 L3MBTL1 (0.32) LMNAHPGDTSHRL3MBTL1ALDH1A1
SCHEMBL5328026 0.82 L3MBTL1 (0.32) LMNAHPGDTSHRL3MBTL1ALDH1A1
SCHEMBL5329828 0.80 MBOAT4 (0.33) LMNAHPGDTSHRL3MBTL1ALDH1A1
SCHEMBL5331674 0.76 MAPK1 (0.34) LMNAHPGDTSHRL3MBTL1ALDH1A1
SCHEMBL5325221 0.76 LMNA (0.39) LMNAHPGDTSHRL3MBTL1ALDH1A1

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-2007147829-A1 AZOLOPYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING HARMFUL FUNGI BASF SE (DE) 2007-12-27 WO disclosed