SCHEMBL14459554

SCHEMBL14459554

C=C1C(C)=C(CCl)C(=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
APAF1 O14727 2/20 0.41
MITF O75030 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.41
CDC25B P30305 6/20 0.40
CDC25A P30304 5/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
S100A4 P26447 5/20 0.40
MAP2K7 O14733 2/20 0.40
TBXAS1 P24557 1/20 0.39

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
SCHEMBL707464 0.85 MAPT (0.54) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL3271510 0.78 CDC25B (0.55) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL17400130 0.73 AURKA (0.50) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL14459682 0.72
SCHEMBL30728068 0.69 MEN1 (0.71) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL154777 0.69 MEN1 (0.71) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL5810540 0.69 TBXAS1 (0.62) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL5820368 0.69 MAPT (0.58) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL571496 0.67 MAPT (0.56) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL13556340 0.67 CDC25B (0.58) MAPTLMNAALDH1A1KDM4EHTT

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-2007095631-A2 NEW DRUG DELIVERY SYSTEM FOR CROSSING THE BLOOD BRAIN BARRIER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-23 WO disclosed