SCHEMBL7469178

SCHEMBL7469178

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
TSHR P16473 6/20 0.39
MAPT P10636 6/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8554377 0.95 LMNA (0.37) LMNATSHRMAPTALDH1A1KMT2A
SCHEMBL8551162 0.94 TSHR (0.39) LMNATSHRMAPTALDH1A1KMT2A
SCHEMBL8603405 0.94 TSHR (0.42) LMNATSHRMAPTALDH1A1KMT2A
SCHEMBL8602448 0.93 HIF1A (0.39) LMNATSHRMAPTKMT2ATP53
SCHEMBL8555228 0.92 LMNA (0.37) LMNATSHRMAPTKMT2ATP53
SCHEMBL7471326 0.91 MEN1 (0.39) LMNATSHRMAPTALDH1A1KMT2A
SCHEMBL8558097 0.91 KMT2A (0.37) LMNATSHRMAPTKMT2ATP53
SCHEMBL8603746 0.91 LMNA (0.36) LMNATSHRMAPTALDH1A1TP53
SCHEMBL7465815 0.90 TSHR (0.40) LMNATSHRMAPTALDH1A1TP53
SCHEMBL8604688 0.90 GSK3B (0.40) LMNATSHRMAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-B1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO MCNEIL PHARM INC (US) 2002-12-18 EP claimed
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed