SCHEMBL7950096

SCHEMBL7950096

COc1c(Br)cc2c(c1C)C(=CC#N)CC2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL7950093 1.00 CA2 (0.31) CA2CA4
SCHEMBL7950094 1.00 CA2 (0.31) CA2CA4
SCHEMBL7951884 0.81 EGFR (0.31)
SCHEMBL7951887 0.81 EGFR (0.31)
SCHEMBL7951888 0.81 EGFR (0.31)
SCHEMBL7943520 0.78 HTR2A (0.34) CA2CA4
SCHEMBL7943518 0.78 HTR2A (0.34) CA2CA4
SCHEMBL7943517 0.78 HTR2A (0.34) CA2CA4
SCHEMBL7950234 0.75 ATM (0.51)
SCHEMBL7950237 0.75 ATM (0.51)

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-6235789-B1 GLANDULAR DISORDERS; SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0781271-B1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-06-07 EP disclosed