SCHEMBL14439866

SCHEMBL14439866

CC(C)c1nc(COC(N)=O)n(Cc2ccc([N+](=O)[O-])cc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NR2F2 P24468 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 3/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
DHFR P00374 1/20 0.34
TYMS P04818 1/20 0.34
TBXA2R P21731 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AR P10275 1/20 0.34
GALR3 O60755 1/20 0.34

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
SCHEMBL6962314 0.92 L3MBTL1 (0.36) L3MBTL1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL14001658 0.90 P2RX3 (0.35) MAPTTBXA2RTDP1TP53
SCHEMBL13996465 0.89 P2RX3 (0.41) L3MBTL1SMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL6972846 0.89 P2RX3 (0.34) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL6967638 0.88 TDP1 (0.39) L3MBTL1LMNAMEN1KMT2AALDH1A1
Capravirine SCHEMBL40347 0.87 PIM1 (0.35) L3MBTL1SMN1; SMN2KDM4ELMNAMEN1
Capravirine SCHEMBL4656686 0.87 PIM1 (0.35) L3MBTL1SMN1; SMN2KDM4ELMNAMEN1
SCHEMBL6961345 0.87 L3MBTL1 (0.39) L3MBTL1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL14439871 0.87 P2RX3 (0.33) LMNAHTTMAPT
SCHEMBL6969108 0.85 TSHR (0.38) L3MBTL1SMN1; SMN2NPC1RAB9AKDM4E

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-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed