SCHEMBL8626873

SCHEMBL8626873

[NH]C(=O)C(N)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
MMP9 P14780 1/20 0.44
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 4/20 0.42
KCNH2 Q12809 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
AOC3 Q16853 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TNF P01375 1/20 0.42
HDAC1 Q13547 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
KLKB1 P03952 1/20 0.40

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
SCHEMBL8120370 1.00 UGT2B7 (0.48) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL30863856 0.83 HSD17B10 (0.55) UGT2B7MEN1KMT2AMMP9SLC6A2
SCHEMBL10077531 0.83 HSD17B10 (0.55) UGT2B7MEN1KMT2AMMP9SLC6A2
SCHEMBL31215092 0.83 HSD17B10 (0.55) UGT2B7MEN1KMT2AMMP9SLC6A2
SCHEMBL159191 0.83 HSD17B10 (0.55) UGT2B7MEN1KMT2AMMP9SLC6A2
SCHEMBL8120372 0.83 UGT2B7 (0.50) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL2829819 0.83 HSD17B10 (0.55) UGT2B7MEN1KMT2AMMP9SLC6A2
SCHEMBL10821284 0.81 UGT2B7 (0.48) UGT2B7MEN1KMT2AATMMMP9
Hydrochloric Acid SCHEMBL11053399 0.80 UGT2B7 (0.47) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL5280956 0.78 HSD17B10 (0.53) UGT2B7MEN1KMT2ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5801242-A Process for making quinolonyl lactam antimicrobials and novel intermediate compounds THE PROCTER & GAMBLE COMPANY (US) 1998-09-01 US disclosed
US-5703231-A Process for making antimicrobial compounds THE PROCTER & GAMBLE COMPANY (US) 1997-12-30 US disclosed
US-4956358-A ANTIBIOTICS, BACTERICIDES, CEPHALOSPORINS AND ISOCEPHALOSPORINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed
US-4906659-A Antibiotic tan-749, its derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-03-06 US disclosed
US-4897489-A 2-/5-OXO-2-TETRAHYDROFURANY4-3-OXOISOXOL-IDINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-01-30 US disclosed
US-4891427-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-01-02 US disclosed
US-4876251-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-24 US disclosed
US-4851422-A Antibiotic 2-(3-oxo-2-isoxazolidinyl)-5-oxo-2-tetrahydrofuran-carboxylates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0271829-A2 Delta-hydroxy-beta-lysine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1988-06-22 EP disclosed
EP-0253337-A2 Tricyclic cepham compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-01-20 EP disclosed
EP-0249909-A1 Tricyclic penam compounds, their production and their use Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed
EP-0250096-A1 Isoxazolone derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 EP disclosed
EP-0191989-A1 Antibiotic isoxazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-08-27 EP disclosed