SCHEMBL19086016

SCHEMBL19086016

CC[C@@H](NC(=O)c1ccc(N)c(C=N)c1)C(=O)N1CCc2sc(C(=O)NCc3cccc(OC)c3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
NAMPT P43490 4/20 0.41
MAPT P10636 2/20 0.41
HCRTR2 O43614 5/20 0.40
MMP13 P45452 2/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
APOBEC3A P31941 1/20 0.38
KMT2A Q03164 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HCRTR1 O43613 3/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL19086007 0.91 PRMT5 (0.40) PRMT5WDR77MAPTHCRTR2HPGD
SCHEMBL19086009 0.91 KMT2A (0.42) PRMT5WDR77HCRTR2KDM4EKMT2A
SCHEMBL19086211 0.90 PRMT5 (0.42) PRMT5WDR77NAMPTMAPTHCRTR2
SCHEMBL19086232 0.88 EPHX2 (0.43) PRMT5WDR77HCRTR2MMP13HCRTR1
SCHEMBL19086006 0.87 KDM4E (0.38) PRMT5WDR77ALDH1A1KDM4ELMNA
SCHEMBL19086194 0.85 PRMT5 (0.43) PRMT5WDR77HCRTR2KMT2AHCRTR1
SCHEMBL19086207 0.85 PRMT5 (0.36) PRMT5WDR77HCRTR2ALDH1A1KDM4E
SCHEMBL19086981 0.84 PRMT5 (0.38) PRMT5WDR77ALDH1A1KDM4ELMNA
SCHEMBL19087006 0.83 PRMT5 (0.38) PRMT5WDR77HCRTR2HCRTR1
SCHEMBL19086335 0.83 HDAC6 (0.39) PRMT5WDR77NAMPTHCRTR2KMT2A

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