SCHEMBL19086207

SCHEMBL19086207

CC[C@@H](NC(=O)c1ccc(N)c(C=N)c1)C(=O)N1CCc2sc(C(=O)NCc3ccnc(F)c3)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 16/20 0.36
WDR77 Q9BQA1 16/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL19086232 0.91 EPHX2 (0.43) PRMT5WDR77HCRTR1HCRTR2
SCHEMBL19086211 0.89 PRMT5 (0.42) PRMT5WDR77ALDH1A1KDM4ELMNA
SCHEMBL19086009 0.88 KMT2A (0.42) PRMT5WDR77KDM4EHCRTR1HCRTR2
SCHEMBL19086981 0.88 PRMT5 (0.38) PRMT5WDR77ALDH1A1KDM4ELMNA
SCHEMBL19086006 0.87 KDM4E (0.38) PRMT5WDR77ALDH1A1KDM4ELMNA
SCHEMBL19086007 0.87 PRMT5 (0.40) PRMT5WDR77ALDH1A1KDM4EHCRTR2
SCHEMBL19087006 0.86 PRMT5 (0.38) PRMT5WDR77HDAC6HCRTR1HCRTR2
SCHEMBL19086016 0.85 PRMT5 (0.42) PRMT5WDR77ALDH1A1KDM4ELMNA
SCHEMBL19086261 0.84 PRMT5 (0.41) PRMT5WDR77ALDH1A1KDM4EHDAC6
SCHEMBL19087007 0.84 PRMT5 (0.38) PRMT5WDR77HDAC6

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-2017114275-A1 COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME 成都先导药物开发有限公司 2017-07-06 WO disclosed