SCHEMBL10414809

SCHEMBL10414809

CCCCCCCCN1CCN(C(=O)NC(C(=O)N[C@H]2CN(C(=O)NS(=O)(=O)Nc3cc(C)sn3)C2=O)c2ccccc2)C(=O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CCKBR P32239 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ SLC22A6 Q4U2R8 1/20 0.34
▸ SLC22A8 Q8TCC7 1/20 0.34
▸ SLC22A11 Q9NSA0 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL10413404 0.92 MAPT (0.39) MEN1KMT2ACCKBRLMNAMAPT
SCHEMBL10413884 0.91 — —
SCHEMBL10548032 0.89 KLK7 (0.35) MEN1KMT2ACCKBRLMNAMAPT
SCHEMBL10414306 0.82 MAPT (0.33) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10414811 0.81 MAPT (0.31) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10548753 0.80 LMNA (0.32) MEN1KMT2ALMNAMAPT
SCHEMBL10414814 0.79 CYP3A4 (0.31) KMT2AMAPTHSD17B10TDP1
SCHEMBL10414813 0.79 CYP3A4 (0.31) KMT2AMAPTHSD17B10TDP1
SCHEMBL10412836 0.79 NR1I2 (0.32) KMT2AMAPTSLC22A6SLC22A8SLC22A11
SCHEMBL10412840 0.78 HSD17B10 (0.40) MEN1KMT2ALMNAMAPTSLC22A6

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
US-4912214-A Containing azelidin-2-one ring HOFFMAN-LA ROCHE INC. (US) 1990-03-27 — — US disclosed
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