SCHEMBL31723161

SCHEMBL31723161

O=C(O)c1c(-c2cccc(F)c2)oc2ccc(Br)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 7/20 0.56
GABRD O14764 7/20 0.56
GABRA1 P14867 7/20 0.56
GABRB1 P18505 7/20 0.56
GABRG2 P18507 7/20 0.56
GABRB3 P28472 7/20 0.56
GABRA5 P31644 7/20 0.56
GABRA3 P34903 7/20 0.56
GABRA2 P47869 7/20 0.56
GABRB2 P47870 7/20 0.56
GABRA4 P48169 7/20 0.56
GABRE P78334 7/20 0.56
GABRA6 Q16445 7/20 0.56
GABRG1 Q8N1C3 7/20 0.56
GABRG3 Q99928 7/20 0.56
GABRQ Q9UN88 7/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56

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
SCHEMBL20919218 0.89 KMT2A (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31723116 0.89 KMT2A (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31723124 0.87 ALDH1A1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20918175 0.87 ALDH1A1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20918191 0.86 MAPT (0.77) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31723166 0.86 MAPT (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31723173 0.86 MAPT (0.77) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20918216 0.85 KMT2A (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31723120 0.85 KMT2A (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20919389 0.81 NMUR2 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3699174-B1 COMPOSITION FOR PREVENTING OR TREATING TNF-RELATED DISEASES, CONTAINING DERIVATIVE AS ACTIVE INGREDIENT, AND METHOD FOR INHIBITING TNF ACTIVITY BY USING SAME ILAB (KR) 2025-11-12 EP claimed