SCHEMBL6977374

SCHEMBL6977374

C[S+]([O-])c1ccc(-c2oc3ccc(F)cc3c(=O)c2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.41
GABRD O14764 4/20 0.41
GABRA1 P14867 4/20 0.41
GABRB1 P18505 4/20 0.41
GABRG2 P18507 4/20 0.41
GABRB3 P28472 4/20 0.41
GABRA5 P31644 4/20 0.41
GABRA3 P34903 4/20 0.41
GABRA2 P47869 4/20 0.41
GABRB2 P47870 4/20 0.41
GABRA4 P48169 4/20 0.41
GABRE P78334 4/20 0.41
GABRA6 Q16445 4/20 0.41
GABRG1 Q8N1C3 4/20 0.41
GABRG3 Q99928 4/20 0.41
GABRQ Q9UN88 4/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL7694389 0.81 RXFP1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6970840 0.80 PTGS2 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6983326 0.78 MAPK14 (0.49) ACHEBACE1MAPK14PTGS2
SCHEMBL6982162 0.74 PTGS2 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6980093 0.73 PTGS2 (0.43) ACHEBACE1KDM4EKMT2AMEN1
SCHEMBL6981848 0.72 MAPK14 (0.40) ACHEBACE1KDM4EKMT2AMEN1
SCHEMBL6976542 0.68 PTGS2 (0.69) MAPK14PTGS2
SCHEMBL6978328 0.68 PTGS2 (0.54) ACHEBACE1PTGS2
SCHEMBL7678962 0.67 MEN1 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30991592 0.67 KMT2A (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP disclosed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US disclosed