SCHEMBL31623719

SCHEMBL31623719

O=C(O)c1cc2c3ccccc3n(C(=O)O)c2cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 2/20 0.49
▸ GABRB3 P28472 2/20 0.49
▸ GABRA5 P31644 2/20 0.49
▸ GABRP O00591 1/20 0.49
▸ GABRD O14764 1/20 0.49
▸ GABRA1 P14867 1/20 0.49
▸ GABRB1 P18505 1/20 0.49
▸ GABRA3 P34903 1/20 0.49
▸ GABRA2 P47869 1/20 0.49
▸ GABRB2 P47870 1/20 0.49
▸ GABRA4 P48169 1/20 0.49
▸ GABRE P78334 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GABRA6 Q16445 1/20 0.49
▸ GABRG1 Q8N1C3 1/20 0.49
▸ GABRG3 Q99928 1/20 0.49
▸ GABRQ Q9UN88 1/20 0.49
▸ POLB P06746 1/20 0.42
▸ CNR2 P34972 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.41

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
SCHEMBL7380449 0.83 CNR2 (0.55) GABRG2GABRB3GABRA5GABRPGABRD
SCHEMBL2216224 0.82 KDM4E (0.59) GABRG2GABRB3GABRA5GABRPGABRD
SCHEMBL27939713 0.82 KMT2A (0.46) GABRG2GABRB3GABRA5GABRPGABRD
SCHEMBL27962863 0.82 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRPGABRD
SCHEMBL2215683 0.80 CYP19A1 (0.57) GABRG2GABRB3GABRA5GABRPGABRD
SCHEMBL31623753 0.80 CNR2 (0.52) GABRG2GABRB3GABRA5GABRPGABRD
SCHEMBL5096226 0.78 NPY5R (0.47) GABRG2GABRB3GABRA5GABRPGABRD
SCHEMBL2212614 0.78 CNR2 (0.56) KMT2APOLBCNR2KDM4EALDH1A1
SCHEMBL8593647 0.78 GABRP (0.43) GABRG2GABRB3GABRA5GABRPGABRD
SCHEMBL30344008 0.78 POLB (0.64) KMT2APOLBKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025128933-A1 GABA-A RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2025-06-19 — — WO disclosed
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