SCHEMBL8675159

SCHEMBL8675159

C=CCC1(c2ccccc2)NCC[N]C1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
BACE1 P56817 1/20 0.30
EGFR P00533 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
SCHEMBL8673177 0.77 LMNA (0.35) LMNAGAATSHRCYP2C19BACE1
SCHEMBL8678113 0.72 LMNA (0.38) LMNAGAAMEN1ALDH1A1POLB
SCHEMBL8675369 0.70 LMNA (0.36) LMNAGAAMEN1ALDH1A1POLB
SCHEMBL29080999 0.70 MEN1 (0.38) MEN1
SCHEMBL8676257 0.66 GAA (0.38) LMNAGAAMEN1ALDH1A1POLB
SCHEMBL8673707 0.64 LMNA (0.36) LMNAGAAMEN1ALDH1A1POLB
SCHEMBL1861291 0.63 CYP3A4 (0.39) LMNAMEN1ALDH1A1POLBKMT2A
SCHEMBL822450 0.62 LMNA (0.42) LMNAGAAMEN1ALDH1A1POLB
SCHEMBL32689845 0.62 KMT2A (0.42) LMNAGAAMEN1ALDH1A1POLB
SCHEMBL8819311 0.62 HTR2A (0.38) LMNAGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5814324-A OIL IN WATER EMULSION COMPRISING ANTIFUNGAL TRIAZOLE COMPOUND DISPERSED IN WATER WITH FATTY ACID TRIGLYCERIDE, LECITHIN EMULSIFIER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-29 US disclosed
CN-1106390-A Azole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-09 CN disclosed