SCHEMBL17677378

SCHEMBL17677378

CCCc1cc2[nH]c(C(=O)O)c(OCC)c2c(=O)n1CC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.37
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ DAO P14920 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SMO Q99835 1/20 0.34

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
SCHEMBL17677350 0.92 KMT2A (0.43) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL13708879 0.87 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL1062332 0.79 SMO (0.48) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL13708845 0.78 KMT2A (0.41) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL13708874 0.76 LMNA (0.46) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL1061898 0.76 KMT2A (0.47) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL10314554 0.75 SMO (0.42) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL10314630 0.71 LMNA (0.45) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL1056894 0.71 SMO (0.55) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL1063259 0.70 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTPOLB

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-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP disclosed
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