SCHEMBL6911340

SCHEMBL6911340

[N]C1C=CC(=Nc2ccccc2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL20088851 0.82 ALDH1A1 (0.38) ALDH1A1MAPK1HTTKMT2A
SCHEMBL755432 0.78 ALDH1A1 (0.47) ALDH1A1MAPK1HTTKMT2A
SCHEMBL12336906 0.74 ALDH1A1 (0.43) ALDH1A1MAPK1HTTKMT2A
SCHEMBL27466940 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL15463133 0.72 ALDH1A1 (0.41) ALDH1A1MAPK1HTTKMT2A
SCHEMBL3313983 0.68 ALDH1A1 (0.38) ALDH1A1MAPK1HTTKMT2A
SCHEMBL11273533 0.68 ALDH1A1 (0.38) ALDH1A1MAPK1HTTKMT2A
SCHEMBL6208251 0.68 ALDH1A1 (0.38) ALDH1A1MAPK1HTTKMT2A
SCHEMBL6687850 0.68 ALDH1A1 (0.38) ALDH1A1MAPK1HTTKMT2A
SCHEMBL1813567 0.68 TXNRD1 (0.47) ALDH1A1MAPK1KMT2A

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
EP-0767809-B1 CURE-INDICATING MOLDING AND COATING COMPOSITION MINNESOTA MINING & MFG (US) 2004-01-21 EP claimed