SCHEMBL8604248

SCHEMBL8604248

N=C(N)NCCc1ccc(OCCC2Oc3cc([N+](=O)[O-])ccc3N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
CACNA1C Q13936 1/20 0.37
KCNH2 Q12809 1/20 0.37
HPGD P15428 3/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL8603252 0.96 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL8555600 0.95 SIRT2 (0.43) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL8551402 0.94 MEN1 (0.39) ALDH1A1MEN1KMT2APKMLMNA
SCHEMBL8554026 0.94 KCNH2 (0.41) ALDH1A1MEN1KMT2ALMNARAB9A
Hydrochloric Acid SCHEMBL8602861 0.94 MEN1 (0.39) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL8557110 0.91 ALDH1A1 (0.36) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL7471326 0.90 MEN1 (0.39) ALDH1A1MEN1KMT2APKMLMNA
SCHEMBL8556736 0.89 SIRT2 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2SIRT2
SCHEMBL7470321 0.88 NPFFR1 (0.36) ALDH1A1MEN1KMT2APKMNPC1
Hydrochloric Acid SCHEMBL7462740 0.88 NPFFR1 (0.36) ALDH1A1MEN1KMT2APKMNPC1

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
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