SCHEMBL14907321

SCHEMBL14907321

CC1C=C(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)C=CC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL19059852 0.87 HPGD (0.31)
SCHEMBL24027967 0.84
SCHEMBL21042616 0.84
SCHEMBL19774481 0.81 CYP2C19 (0.33) ALDH1A1TDP1
SCHEMBL24832148 0.81 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL19074911 0.81 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL19055263 0.79
SCHEMBL18900853 0.78
SCHEMBL25533749 0.78
SCHEMBL18900775 0.77 ALDH1A1 (0.32) ALDH1A1TDP1

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
WO-2013060411-A1 HYPERBRANCHED POLYMERS, METHODS FOR PRODUCING SAME, AND USE OF SAME IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-05-02 WO disclosed