SCHEMBL14899804

SCHEMBL14899804

CC(C)NC(=O)OCC1(COc2c(N3CCN(C)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ JAK2 O60674 2/20 0.31
▸ NTRK1 P04629 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ WDR5 P61964 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ NR3C1 P04150 1/20 0.30
▸ SLC2A1 P11166 1/20 0.30
▸ SLC2A3 P11169 1/20 0.30
▸ HTR1B P28222 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
SCHEMBL11944588 0.90 NPY5R (0.33) POLBMCHR1
SCHEMBL11944576 0.86 MAPT (0.38) CTSKLMNAPOLB
SCHEMBL11946122 0.84 POLB (0.39) KMT2ALMNAPOLBSMN1; SMN2MCHR1
SCHEMBL11945259 0.84 MAPT (0.33) POLBMCHR1
SCHEMBL11946125 0.84 POLB (0.40) KMT2ALMNAPOLBSMN1; SMN2MCHR1
SCHEMBL11946167 0.83 POLB (0.38) KMT2ALMNAPOLBSMN1; SMN2MCHR1
SCHEMBL11944592 0.82 ALDH1A1 (0.32) KMT2ALMNAPOLB
SCHEMBL14899770 0.81 MCHR1 (0.33) MCHR1JAK2TP53SLC2A1SLC2A3
SCHEMBL11945257 0.80 POLB (0.34) POLBMCHR1
SCHEMBL11944569 0.80 POLB (0.34) POLBMCHR1

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
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 — — EP disclosed
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