SCHEMBL9602904

SCHEMBL9602904

CC(=O)OCC(Cn1cnc2c[n+]([O-])c3ccccc3c21)OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ADRA1A P35348 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
AR P10275 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADORA2B P29275 1/20 0.32
APAF1 O14727 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 2/20 0.31

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
SCHEMBL9602153 0.81 POLB (0.54) POLBMAPTKMT2ATHRBKDM4E
SCHEMBL9602472 0.81 GAA (0.40) POLBMAPTKMT2ATHRBKDM4E
SCHEMBL9381029 0.79 USP5 (0.36) POLBMAPTKMT2AKDM4EALDH1A1
SCHEMBL30601125 0.78 TLR7 (0.47) POLBMAPTKMT2AKDM4EALDH1A1
SCHEMBL3192664 0.78 TLR7 (0.47) POLBMAPTKMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3198630 0.77 TLR7 (0.46) POLBMAPTKMT2AKDM4EALDH1A1
SCHEMBL9602275 0.77 DPP4 (0.41) POLBMAPTKMT2AKDM4EALDH1A1
SCHEMBL10731238 0.76 TLR7 (0.34) POLBKMT2AALDH1A1NPSR1ADORA2B
SCHEMBL9603139 0.75 POLB (0.40) POLBMAPTKMT2AGAAALDH1A1
SCHEMBL10727327 0.74 TLR7 (0.36) POLBMAPTKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5272265-A 3-(substituted or unsubstituted) thiazolo-1-carba (1-dethia)cephems ELI LILLY AND COMPANY (US) 1993-12-21 US disclosed
EP-0310950-B1 Quinoline intermediates for the synthesis of 1H-imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amimes RIKER LABORATORIES, INC. (US) 1993-01-13 EP disclosed
EP-0145340-B1 1H-Imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amines RIKER LABORATORIES, INC. (US) 1990-01-24 EP disclosed
EP-0310950-A1 Quinoline intermediates for the synthesis of 1H-imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amimes RIKER LABORATORIES, INC. (US) 1989-04-12 EP disclosed
US-4698348-A 1H-imidazo[4,5-c]quinolines and their use as bronchodilating agents RIKER LABORATORIES, INC. (US) 1987-10-06 US disclosed
US-4689338-A 1H-Imidazo[4,5-c]quinolin-4-amines and antiviral use RIKER LABORATORIES, INC. (US) 1987-08-25 US disclosed
EP-0145340-A2 1H-Imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amines RIKER LABORATORIES, INC. (US) 1985-06-19 EP disclosed