SCHEMBL8557110

SCHEMBL8557110

N=C(N)NCCc1ccc(OCCC2Oc3ccc(F)cc3N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
AKR1B1 P15121 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
HPGD P15428 2/20 0.34
THRB P10828 1/20 0.34
ALOX12 P18054 1/20 0.34
USP2 O75604 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL8555600 0.91 SIRT2 (0.43) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL8604248 0.91 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL8603252 0.89 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL7471326 0.89 MEN1 (0.39) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL8551402 0.86 MEN1 (0.39) ALDH1A1MEN1KMT2AMAPTPKM
Hydrochloric Acid SCHEMBL8602861 0.85 MEN1 (0.39) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL8553976 0.85 KMT2A (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL8554026 0.85 KCNH2 (0.41) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL8556736 0.84 SIRT2 (0.41) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7466586 0.84 PTPN1 (0.38) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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