SCHEMBL13812764

SCHEMBL13812764

COc1ccc(Cl)cc1C(=O)Nc1cccc(OCCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ GRM5 P41594 1/20 0.53
▸ SIRT2 Q8IXJ6 3/20 0.53
▸ HTT P42858 2/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ POLB P06746 2/20 0.52
▸ KCNK3 O14649 2/20 0.52
▸ KCNK9 Q9NPC2 2/20 0.52
▸ KCNMA1 Q12791 1/20 0.52
▸ NR1H4 Q96RI1 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ PNLIP P16233 1/20 0.51

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
SCHEMBL13812763 0.90 GRM5 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3863657 0.86 P2RX1 (0.62) MEN1KMT2ASIRT2NR1H4
SCHEMBL13812736 0.85 KCNK3 (0.56) LRRK2MEN1KMT2AKDM4ESIRT2
SCHEMBL13812584 0.85 MEN1 (0.53) LRRK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL13812577 0.84 P2RX1 (0.55) MAPTSIRT2KCNMA1
SCHEMBL13812550 0.83 SIRT2 (0.52) MAPTMEN1KMT2ASIRT2NR1H4
SCHEMBL24438365 0.82 ALDH1A1 (0.69) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL30692666 0.82 ALDH1A1 (0.69) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL13812799 0.82 NR1H4 (0.50) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL13812606 0.82 P2RX1 (0.59) MAPTSIRT2

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-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
Send feedback