SCHEMBL2027693

SCHEMBL2027693

Nc1ccc(C(=O)O)cn1.Nc1ccc(C(=O)O)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 1.00
GABRD O14764 3/20 1.00
GABRA1 P14867 3/20 1.00
GABRB1 P18505 3/20 1.00
GABRG2 P18507 3/20 1.00
GABRB3 P28472 3/20 1.00
GABRA5 P31644 3/20 1.00
GABRA3 P34903 3/20 1.00
GABRA2 P47869 3/20 1.00
GABRB2 P47870 3/20 1.00
GABRA4 P48169 3/20 1.00
GABRE P78334 3/20 1.00
GABRA6 Q16445 3/20 1.00
GABRG1 Q8N1C3 3/20 1.00
GABRG3 Q99928 3/20 1.00
GABRQ Q9UN88 3/20 1.00
NNMT P40261 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HDAC1 Q13547 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62

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
SCHEMBL29530489 1.00 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL42011 1.00 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29056072 0.98 GABRP (0.96) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL4686219 0.98 GABRP (0.96) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30963385 0.98 GABRP (0.96) GABRPGABRDGABRA1GABRB1GABRG2
Carbamic Acid SCHEMBL9949749 0.96 GABRP (0.92) GABRPGABRDGABRA1GABRB1GABRG2
Nitrous Acid SCHEMBL22129259 0.92 GABRP (0.85) GABRPGABRDGABRA1GABRB1GABRG2
Pyridine SCHEMBL11262816 0.89 GABRP (0.79) GABRPGABRDGABRA1GABRB1GABRG2
Ether SCHEMBL27550686 0.86 GABRP (0.73) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16853374 0.84 GABRP (0.72) GABRPGABRDGABRA1GABRB1GABRG2

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-3158053-A1 ACCELERATION OF MYCOBACTERIUM GROWTH St. George's Hospital Medical School (GB) 2017-04-26 EP disclosed
WO-2015193688-A1 ACCELERATION OF MYCOBACTERIUM GROWTH ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2015-12-23 WO disclosed
US-20110236429-A1 Small Cationic Antimicrobial Peptides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-09-29 US disclosed
US-20110150917-A1 Small Cationic Antimicrobial Peptides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-06-23 US disclosed
WO-2008151434-A1 SMALL CATIONIC ANTIMICROBIAL PEPTIDES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-12-18 WO disclosed