SCHEMBL8555937

SCHEMBL8555937

Cc1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)C(CCOc1ccc(C(C)N=C(N)N)cc1)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
LMNA P02545 3/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 6/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
XIAP P98170 1/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL7465812 0.95 TSHR (0.41) TSHRLMNAUSP2MAPK1ATM
SCHEMBL8551158 0.92 TSHR (0.38) TSHRLMNAUSP2MAPK1ATM
SCHEMBL8555223 0.90 LMNA (0.36) TSHRLMNAUSP2MAPK1ATM
SCHEMBL8557722 0.81 GSK3B (0.45) TSHRLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8555598 0.80 SIRT2 (0.43) TSHRMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL8595841 0.80 TSHR (0.44) TSHRSMN1; SMN2ALDH1A1
SCHEMBL7478778 0.78 TSHR (0.64) TSHRLMNAUSP2MAPK1ATM
SCHEMBL8556732 0.78 SIRT2 (0.41) TSHRMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7465815 0.77 TSHR (0.40) TSHRLMNAUSP2MAPK1ATM
SCHEMBL8553542 0.76 TSHR (0.49) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A

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