SCHEMBL7805499

SCHEMBL7805499

CN(C)c1oc2ccc(Br)cc2c(=O)c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 6/20 0.52
▸ GABRD O14764 6/20 0.52
▸ GABRA1 P14867 6/20 0.52
▸ GABRB1 P18505 6/20 0.52
▸ GABRG2 P18507 6/20 0.52
▸ GABRB3 P28472 6/20 0.52
▸ GABRA5 P31644 6/20 0.52
▸ GABRA3 P34903 6/20 0.52
▸ GABRA2 P47869 6/20 0.52
▸ GABRB2 P47870 6/20 0.52
▸ GABRA4 P48169 6/20 0.52
▸ GABRE P78334 6/20 0.52
▸ GABRA6 Q16445 6/20 0.52
▸ GABRG1 Q8N1C3 6/20 0.52
▸ GABRG3 Q99928 6/20 0.52
▸ GABRQ Q9UN88 6/20 0.52
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 4/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALOX12 P18054 1/20 0.46

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
SCHEMBL1781415 0.87 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8860 0.83 KDM4E (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8459 0.82 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27899985 0.80 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8894 0.78 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8257 0.78 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16589440 0.77 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8655 0.77 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9138 0.77 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9323 0.77 GABRP (0.49) 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-0861242-B1 HETEROCYCLIC FUNGICIDES AVENTIS CROPSCIENCE UK LTD (GB) 2001-05-30 — — EP disclosed
US-6034121-A AGRICULTURE AGREVO UK LIMITED (GB) 2000-03-07 — — US disclosed
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