SCHEMBL8554377

SCHEMBL8554377

N=C(N)NCCc1ccc(OCCC2Oc3ccc(N)cc3N(Cc3cccc(Cl)c3)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
TP53 P04637 3/20 0.37
TSHR P16473 5/20 0.36
MAPK1 P28482 2/20 0.36
USP2 O75604 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 5/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
MAOB P27338 1/20 0.34
SLC2A1 P11166 1/20 0.34
KLKB1 P03952 1/20 0.33

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 0.95 LMNA (0.42) LMNATP53TSHRMAPK1USP2
SCHEMBL8551162 0.92 TSHR (0.39) LMNATP53TSHRMAPK1USP2
SCHEMBL8603405 0.92 TSHR (0.42) LMNATP53TSHRSMN1; SMN2MAPT
SCHEMBL8602448 0.90 HIF1A (0.39) LMNATP53TSHRMAPK1USP2
SCHEMBL8555228 0.90 LMNA (0.37) LMNATP53TSHRMAPK1USP2
SCHEMBL7471326 0.89 MEN1 (0.39) LMNATP53TSHRMAPK1USP2
SCHEMBL8558097 0.89 KMT2A (0.37) LMNATP53TSHRSMN1; SMN2MAPT
SCHEMBL8603746 0.89 LMNA (0.36) LMNATP53TSHRMAPK1USP2
SCHEMBL7465815 0.88 TSHR (0.40) LMNATP53TSHRMAPK1USP2
SCHEMBL8604688 0.88 GSK3B (0.40) LMNATP53TSHRSMN1; SMN2MAPT

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