SCHEMBL8551158

SCHEMBL8551158

COc1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)C(CCOc1ccc(C(C)N=C(N)N)cc1)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
XIAP P98170 2/20 0.36
PLA2G2A P14555 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.35
CCR8 P51685 1/20 0.34
P2RX7 Q99572 2/20 0.34
SIRT2 Q8IXJ6 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
SCHEMBL8555937 0.92 TSHR (0.48) TSHRLMNAUSP2MAPK1ATM
SCHEMBL8555223 0.90 LMNA (0.36) TSHRLMNAUSP2MAPK1ATM
SCHEMBL7465812 0.89 TSHR (0.41) TSHRLMNAUSP2MAPK1ATM
SCHEMBL8557722 0.86 GSK3B (0.45) TSHRLMNAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL8555598 0.82 SIRT2 (0.43) TSHRMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL8551162 0.82 TSHR (0.39) TSHRLMNAUSP2MAPK1ATM
SCHEMBL8595841 0.80 TSHR (0.44) TSHRALDH1A1SMN1; SMN2
SCHEMBL8552816 0.78 PPARG (0.46) XIAP
SCHEMBL8556732 0.78 SIRT2 (0.41) TSHRMAPTALDH1A1SMN1; SMN2SIRT2
SCHEMBL8550235 0.77 TSHR (0.49) TSHRALDH1A1XIAPSMN1; SMN2

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
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed