SCHEMBL9676459

SCHEMBL9676459

CC(C)(C)C1(c2ccc(C#N)cc2)SCCCS1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
CYP2A6 P11509 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP19A1 P11511 2/20 0.33
PGR P06401 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
POLB P06746 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL9677275 0.83 GABRP (0.36)
SCHEMBL9676428 0.82 GABRP (0.38)
SCHEMBL9678382 0.79 MAOB (0.33) MAOAMAOB
SCHEMBL9677435 0.78
SCHEMBL9677759 0.77
SCHEMBL9676502 0.77 KMT2A (0.37) MAOAMAOB
SCHEMBL9677564 0.75 SLC6A4 (0.37)
SCHEMBL9679313 0.75 SLC6A3 (0.40) ALDH1A1MAOAMAOB
SCHEMBL9678600 0.74 KIF11 (0.31) KIF11
SCHEMBL9678880 0.71 ALDH1A1 (0.40) ALDH1A1POLB

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
EP-0294229-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-12-02 EP claimed
EP-0294229-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-12-02 EP disclosed