SCHEMBL11723944

SCHEMBL11723944

C=CCCCCCCCCNC(=N)NC#N

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
DDAH1 O94760 1/20 0.32

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
SCHEMBL429330 0.85 SMN1; SMN2 (0.32) ALDH1A1
SCHEMBL8755558 0.85 SMN1; SMN2 (0.32) ALDH1A1
SCHEMBL27292788 0.83 TSHR (0.32) TSHR
SCHEMBL27292785 0.81 HIF1A (0.31)
SCHEMBL18597314 0.80
SCHEMBL8755597 0.79
SCHEMBL11732516 0.79 EPHX2 (0.47)
SCHEMBL11732523 0.79 EPHX2 (0.47)
SCHEMBL1937657 0.77 EPHX1 (0.45)
SCHEMBL11810751 0.77 EPHX1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4045483-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-08-30 US disclosed
US-4009163-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-02-22 US disclosed
US-3988370-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1976-10-26 US disclosed