SCHEMBL8557727

SCHEMBL8557727

COc1ccc(CN2C(=O)C(CCOc3ccc(CCNC(=N)N)cc3)Oc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
ADK P55263 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
PTPN1 P18031 1/20 0.40
PPARG P37231 3/20 0.40
LMNA P02545 1/20 0.40
P2RX4 Q99571 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL8602122 0.93 TSHR (0.44) GSK3BADKALDH1A1SMN1; SMN2TSHR
SCHEMBL8604494 0.92 ALDH1A1 (0.43) GSK3BADKALDH1A1SMN1; SMN2TSHR
SCHEMBL8595844 0.92 TSHR (0.45) ALDH1A1SMN1; SMN2TSHRTP53PPARG
SCHEMBL8603773 0.90 PPARG (0.44) TP53PPARGLMNA
SCHEMBL8554476 0.90 TSHR (0.46) ALDH1A1SMN1; SMN2TSHRTP53PTPN1
SCHEMBL7475653 0.90 ALDH1A1 (0.42) GSK3BADKALDH1A1SMN1; SMN2TSHR
SCHEMBL8604038 0.89 TP53 (0.42) GSK3BADKALDH1A1SMN1; SMN2TSHR
SCHEMBL8603405 0.89 TSHR (0.42) GSK3BADKALDH1A1SMN1; SMN2TSHR
SCHEMBL8556736 0.89 SIRT2 (0.41) ALDH1A1SMN1; SMN2TSHRTP53SIRT2
SCHEMBL7476790 0.88 TSHR (0.45) ALDH1A1SMN1; SMN2TSHRTP53PPARG

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