SCHEMBL13670533

SCHEMBL13670533

CCC(CC)(CF)c1cccc(N(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.30
RORC P51449 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
SCHEMBL954180 0.77 ALDH1A1 (0.36) MAPTALDH1A1TDP1POLBRORC
SCHEMBL13670754 0.75 POLB (0.33) MAPTALDH1A1TDP1POLB
SCHEMBL13670464 0.73 BRD4 (0.42) ALDH1A1POLB
SCHEMBL17032805 0.72 ALDH1A1 (0.46) MAPTALDH1A1TDP1POLB
SCHEMBL13568670 0.70 ADRB1 (0.37) ALDH1A1
SCHEMBL13670441 0.68 SIGMAR1 (0.38) MAPTALDH1A1
SCHEMBL30811084 0.68 CCR1 (0.43) MAPTALDH1A1TDP1
SCHEMBL5109003 0.67 TDP1 (0.42) MAPTALDH1A1TDP1POLB
SCHEMBL954531 0.67 SMN1; SMN2 (0.33) ALDH1A1TDP1POLB
SCHEMBL13670083 0.66 KDM4E (0.32) MAPT

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-2009118087-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2009-10-01 WO disclosed