SCHEMBL8551162

SCHEMBL8551162

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
USP2 O75604 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PLA2G2A P14555 1/20 0.36
GSK3B P49841 1/20 0.36
ADK P55263 1/20 0.36

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
SCHEMBL7469178 0.94 LMNA (0.42) TSHRMAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8554377 0.92 LMNA (0.37) TSHRMAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8603405 0.91 TSHR (0.42) TSHRMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL8602448 0.90 HIF1A (0.39) TSHRMAPK1MAPTSMN1; SMN2LMNA
SCHEMBL8603746 0.89 LMNA (0.36) TSHRMAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8555228 0.89 LMNA (0.37) TSHRMAPK1MAPTSMN1; SMN2LMNA
SCHEMBL7465815 0.89 TSHR (0.40) TSHRMAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8602122 0.89 TSHR (0.44) TSHRMAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7471326 0.88 MEN1 (0.39) TSHRMAPK1MAPTALDH1A1L3MBTL1
SCHEMBL8558097 0.88 KMT2A (0.37) TSHRMAPTSMN1; SMN2GAALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed