SCHEMBL2870565

SCHEMBL2870565

NC(=O)C(N)c1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
ATM Q13315 1/20 0.54
GPR84 Q9NQS5 4/20 0.50
FFAR1 O14842 2/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
MAPT P10636 4/20 0.49
MGAM O43451 2/20 0.49
GAA P10253 2/20 0.49
SI P14410 2/20 0.49
MGAM2 Q2M2H8 2/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
MPO P05164 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL30518090 0.86 MEN1 (0.56) ALDH1A1ATMGPR84FFAR1HTR2A
SCHEMBL30518932 0.86 MEN1 (0.56) ALDH1A1ATMGPR84FFAR1HTR2A
SCHEMBL1349263 0.86 MEN1 (0.56) ALDH1A1ATMGPR84FFAR1HTR2A
SCHEMBL10079616 0.86 MEN1 (0.56) ALDH1A1ATMGPR84FFAR1HTR2A
SCHEMBL10332616 0.85 HTR2A (0.49) ALDH1A1ATMGPR84FFAR1HTR2A
SCHEMBL10821238 0.85 HTR2A (0.49) ALDH1A1ATMGPR84FFAR1HTR2A
SCHEMBL8234032 0.85 GPR84 (0.53) ALDH1A1ATMGPR84FFAR1HTR2A
Hydrochloric Acid SCHEMBL11187822 0.85 MEN1 (0.55) ALDH1A1ATMGPR84FFAR1HTR2A
SCHEMBL27586464 0.84 ALDH1A1 (0.56) ALDH1A1ATMGPR84FFAR1HTR2A
SCHEMBL27155060 0.83 ALDH1A1 (0.54) ALDH1A1ATMGPR84FFAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383742-B1 SYNTHESIS AND METHODS OF USE OF TETRAHYDROINDOLONE ANALOGUES AND DERIVATIVES SPECTRUM PHARMACEUTICALS INC (US) 2010-10-27 EP 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-0250096-A1 Isoxazolone derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed
EP-0249909-A1 Tricyclic penam compounds, their production and their use 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