SCHEMBL7476840

SCHEMBL7476840

Cc1ccc(OC2CCOC2=O)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 3/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 3/20 0.41
S1PR4 O95977 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
AGTR1 P30556 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL18371959 1.00 POLB (0.46) POLBTDP1TSHRCYP3A4ALDH1A1
SCHEMBL7472335 0.90 POLB (0.46) POLBTDP1TSHRCYP3A4ALDH1A1
SCHEMBL7472383 0.85 POLB (0.45) POLBTDP1ALDH1A1KDM4ERAB9A
SCHEMBL17049183 0.85 POLB (0.46) POLBTDP1TSHRALDH1A1KDM4E
SCHEMBL7468663 0.85 POLB (0.46) POLBTDP1TSHRALDH1A1KDM4E
SCHEMBL17049181 0.85 POLB (0.46) POLBTDP1TSHRALDH1A1KDM4E
SCHEMBL18371960 0.85 POLB (0.46) POLBTDP1TSHRALDH1A1KDM4E
SCHEMBL7473306 0.82 POLB (0.45) POLBTDP1TSHRALDH1A1KDM4E
SCHEMBL17049176 0.81 POLB (0.57) POLBTDP1TSHRALDH1A1RAB9A
SCHEMBL17049177 0.81 POLB (0.57) POLBTDP1TSHRALDH1A1RAB9A

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 5 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 disclosed
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