SCHEMBL13316632

SCHEMBL13316632

N#CC(CCOC1CCCCO1)c1ncc(Cc2cccc(Cl)c2F)cn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DHFR P00374 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
P2RX3 P56373 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL13316633 0.84 KDM4C (0.36) KDM4CL3MBTL1DHFRNPC1RAB9A
SCHEMBL13316572 0.79 KDM4C (0.36) KDM4CL3MBTL1DHFRNPC1RAB9A
SCHEMBL13316575 0.78 KDM4C (0.35) KDM4CL3MBTL1DHFRNPC1RAB9A
SCHEMBL13349673 0.76 MPO (0.32) MEN1KMT2A
SCHEMBL13316613 0.76 DHFR (0.32) KDM4CL3MBTL1DHFR
SCHEMBL13316571 0.75 DHFR (0.33) KDM4CL3MBTL1DHFRNPC1RAB9A
SCHEMBL8120271 0.74 KDM4C (0.37) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL13349620 0.74 DHFR (0.33) KDM4CL3MBTL1DHFRNPC1RAB9A
SCHEMBL13316674 0.73 NPC1 (0.34) KDM4CDHFRNPC1RAB9AMEN1
SCHEMBL13316630 0.71 CCNT1 (0.33) ALOX5APFEN1

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