SCHEMBL13316613

SCHEMBL13316613

CC(C)(C)[C@@H](COC1CCCCO1)C(C#N)c1ccc(Cc2cccc(Cl)c2F)cn1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL13316674 0.86 NPC1 (0.34) DHFRKDM4C
SCHEMBL13349708 0.80 CASR (0.32)
SCHEMBL13316571 0.78 DHFR (0.33) DHFRL3MBTL1KDM4C
SCHEMBL13316572 0.77 KDM4C (0.36) DHFRL3MBTL1KDM4C
SCHEMBL13316575 0.76 KDM4C (0.35) DHFRL3MBTL1KDM4C
SCHEMBL13316632 0.76 KDM4C (0.36) DHFRL3MBTL1KDM4C
SCHEMBL13349620 0.75 DHFR (0.33) DHFRL3MBTL1KDM4C
SCHEMBL13349598 0.69 CXCR2 (0.32)
SCHEMBL13316633 0.69 KDM4C (0.36) DHFRL3MBTL1KDM4C
SCHEMBL13349597 0.68 CXCR2 (0.34)

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-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed