SCHEMBL8551399

SCHEMBL8551399

CC(N=C(N)N)c1ccc(OCCC2Oc3cc([N+](=O)[O-])ccc3N(Cc3cccc(Cl)c3)C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XIAP P98170 1/20 0.35
TSHR P16473 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
PYGL P06737 1/20 0.33
PYGM P11217 1/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL7471323 0.96 LMNA (0.36) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL8555598 0.91 SIRT2 (0.43) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL7465812 0.90 TSHR (0.41) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL7470317 0.89 TSHR (0.38) HTTXIAPTSHR
SCHEMBL8556732 0.88 SIRT2 (0.41) KMT2AMAPTALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL7462732 0.88 TSHR (0.37) HTTXIAPTSHR
SCHEMBL8551158 0.86 TSHR (0.38) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL8555937 0.86 TSHR (0.48) KMT2AMEN1LMNAMAPTALDH1A1
Hydrochloric Acid SCHEMBL8643936 0.84 MAOB (0.43) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL8555223 0.83 LMNA (0.36) KMT2AMEN1LMNAMAPTALDH1A1

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