SCHEMBL6604508

SCHEMBL6604508

COc1cc(Br)ccc1CN1CCCC1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.80
TDP1 Q9NUW8 2/20 0.80
TRPV6 Q9H1D0 1/20 0.57
TSHR P16473 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.56
GFER P55789 1/20 0.54
CCR5 P51681 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL1427564 0.98 KDM4E (0.83) KDM4ETDP1TRPV6TSHRMEN1
SCHEMBL19869956 0.88 GAA (0.66) KDM4ETDP1TRPV6MEN1KMT2A
SCHEMBL18227502 0.86 KDM4E (0.61) KDM4ETDP1TRPV6MEN1KMT2A
SCHEMBL4591936 0.84 KDM4E (0.70) KDM4ETDP1TRPV6TSHRMEN1
SCHEMBL1427948 0.83 TDP1 (0.65) KDM4ETDP1TSHRMEN1KMT2A
SCHEMBL2760407 0.82 MEN1 (0.62) KDM4ETDP1TSHRMEN1KMT2A
SCHEMBL9831262 0.82 KDM4E (0.64) KDM4ETDP1TSHRMEN1KMT2A
SCHEMBL19086425 0.82 KDM4E (0.61) KDM4ETDP1TRPV6MEN1KMT2A
SCHEMBL9829670 0.81 KDM4E (0.66) KDM4ETDP1TSHRMEN1KMT2A
SCHEMBL3379362 0.81 KMT2A (0.58) KDM4ETDP1TSHRMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244655-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-02-18 EP disclosed
US-6620837-B1 1-Benzothiophene derivatives ELI LILLY AND COMPANY 2003-09-16 US disclosed
EP-1244655-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2002-10-02 EP disclosed
WO-2001036414-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2001-05-25 WO disclosed