SCHEMBL15440335

SCHEMBL15440335

CN(Cc1ccccc1)N=C1CC(=O)CC(C)(C)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
GAA P10253 4/20 0.50
ALOX15 P16050 1/20 0.44
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MITF O75030 2/20 0.37
KDM4E B2RXH2 2/20 0.37
APEX1 P27695 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL15440333 1.00 ALDH1A1 (0.50) ALDH1A1GAAALOX15MAPTMEN1
SCHEMBL15439581 0.87 ALDH1A1 (0.51) ALDH1A1GAAALOX15MAPTMEN1
SCHEMBL15439583 0.87 ALDH1A1 (0.51) ALDH1A1GAAALOX15MAPTMEN1
SCHEMBL15440546 0.83 ALDH1A1 (0.47) ALDH1A1GAAALOX15MAPTMEN1
SCHEMBL15439912 0.83 ALDH1A1 (0.47) ALDH1A1GAAALOX15MAPTMEN1
SCHEMBL15439911 0.83 ALDH1A1 (0.47) ALDH1A1GAAALOX15MAPTMEN1
SCHEMBL15439338 0.82 TSHR (0.42) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL15438782 0.82 TSHR (0.42) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL15439340 0.82 TSHR (0.42) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL15439435 0.77 KMT2A (0.40) ALDH1A1GAAMAPTMEN1KMT2A

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-9115231-B2 Polymers functionalized with protected hydrazone compounds containing an acyl group BRIDGESTONE CORPORATION (JP) 2015-08-25 US disclosed
US-20140031488-A1 Polymers Functionalized With Protected Hydrazone Compounds Containing An Acyl Group BRIDGESTONE CORPORATION (JP) 2014-01-30 US disclosed