SCHEMBL8673177

SCHEMBL8673177

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 3/20 0.33
TSHR P16473 1/20 0.33
BACE1 P56817 1/20 0.33
ADAM17 P78536 2/20 0.31
EGFR P00533 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 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
SCHEMBL8675159 0.77 LMNA (0.35) LMNAGAACYP2C19TSHRBACE1
SCHEMBL8676257 0.72 GAA (0.38) LMNAGAACYP2C19TSHRBACE1
SCHEMBL8678113 0.66 LMNA (0.38) LMNAGAAEGFRGABRA1GABRG2
SCHEMBL8675369 0.64 LMNA (0.36) LMNAGAAEGFR
SCHEMBL32689845 0.62 KMT2A (0.42) LMNAGAACYP2C19TSHRBACE1
SCHEMBL822450 0.62 LMNA (0.42) LMNAGAACYP2C19TSHREGFR
SCHEMBL3613976 0.62 GAA (0.37) LMNAGAATSHREGFR
SCHEMBL9540089 0.61 ADAM17 (0.46) ADAM17
SCHEMBL8673707 0.61 LMNA (0.36) LMNAGAAEGFR
SCHEMBL29080999 0.61 MEN1 (0.38)

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