SCHEMBL4595837

SCHEMBL4595837

O=C(O)Cc1ccnc(-c2cc(CC(=O)O)ccn2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.67
GABRD O14764 2/20 0.67
GABRA1 P14867 2/20 0.67
GABRB1 P18505 2/20 0.67
GABRG2 P18507 2/20 0.67
GABRB3 P28472 2/20 0.67
GABRA5 P31644 2/20 0.67
GABRA3 P34903 2/20 0.67
GABRA2 P47869 2/20 0.67
GABRB2 P47870 2/20 0.67
GABRA4 P48169 2/20 0.67
GABRE P78334 2/20 0.67
GABRA6 Q16445 2/20 0.67
GABRG1 Q8N1C3 2/20 0.67
GABRG3 Q99928 2/20 0.67
GABRQ Q9UN88 2/20 0.67
KDM4E B2RXH2 5/20 0.48
GAA P10253 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48

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
SCHEMBL12131333 0.89 CCR1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8357905 0.89 KDM4E (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8333412 0.83 ALDH1A1 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12302847 0.82 WNT3A (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6219254 0.82 GABRP (0.65) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5754940 0.80 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8912968 0.80 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3092847 0.80 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7962910 0.80 FFAR1 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15017735 0.80 GABRP (1.00) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925768-B1 COBALTCOMPLEX SALTS MERCK PATENT GMBH (DE) 2016-12-21 EP disclosed
WO-2014082704-A1 COBALTCOMPLEX SALTS MERCK PATENT GMBH (DE) 2014-06-05 WO disclosed
US-20110058244-A1 ELECTROCHROMIC DISPLAY ELEMENT KONICA MINOLTA HOLDINGS, INC. (JP) 2011-03-10 US disclosed
EP-1161685-B1 METHOD FOR REDUCING FLUORESCENCE QUENCHING IN BIOASSAYS CIS BIO INT (FR) 2008-01-09 EP disclosed
US-7309567-B1 Method for reducing fluorescence quenching in bioassays CIS BIO INTERNATIONAL (FR) 2007-12-18 US disclosed
EP-1161685-A1 METHOD FOR REDUCING FLUORESCENCE QUENCHING IN BIOASSAYS CIS BIO INTERNATIONAL (FR) 2001-12-12 EP disclosed
US-6187928-B1 TREATING FUNGAL DISEASES THE ROCKEFELLER UNIVERSITY 2001-02-13 US disclosed
WO-2000055630-A1 METHOD FOR REDUCING FLUORESCENCE QUENCHING IN BIOASSAYS CIS BIO INTERNATIONAL (FR) 2000-09-21 WO disclosed
US-6087510-A Method of use of imidazolium cations THE ROCKEFELLER UNIVERSITY (US) 2000-07-11 US disclosed
US-5874587-A FLUORESCENCE THE ROCKEFELLER UNIVERSITY (US) 1999-02-23 US disclosed