SCHEMBL11412295

SCHEMBL11412295

CCc1cc(NC#N)ccc1NC#N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TNIK Q9UKE5 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
SCHEMBL3168174 0.80 MAPK1 (0.42) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL11667279 0.75 HTT (0.38) ALDH1A1MAPTTNIK
SCHEMBL6901376 0.75 ALDH1A1 (0.44) ALDH1A1POLBMAPT
SCHEMBL11667375 0.71 ALDH1A1 (0.38) ALDH1A1MAPT
SCHEMBL11667126 0.71 IDO1 (0.33) ALDH1A1MAPT
SCHEMBL12364019 0.70 CYP2A6 (0.52) ALDH1A1POLBMAPT
SCHEMBL3177045 0.69 AR (0.66)
SCHEMBL21351250 0.68 SLC18A1 (0.35) ALDH1A1TNIK
SCHEMBL7201873 0.68 RAPGEF4 (0.49) ALDH1A1MAPT
SCHEMBL8985134 0.67 ALDH1A1 (0.32) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4228218-A Polymer composite material Takayanagi, Motowo (JP) 1980-10-14 US disclosed