SCHEMBL18714839

SCHEMBL18714839

CCSc1cc2c(cc1C(C)=O)sc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ GABRA4 P48169 1/20 0.41
▸ GABRE P78334 1/20 0.41
▸ GABRA6 Q16445 1/20 0.41
▸ GABRG1 Q8N1C3 1/20 0.41
▸ GABRG3 Q99928 1/20 0.41
▸ GABRQ Q9UN88 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ MAPT P10636 7/20 0.39
▸ ALDH1A1 P00352 5/20 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
SCHEMBL3169791 0.81 GPR3 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8964817 0.73 L3MBTL1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13871255 0.70 CYP1A2 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4436794 0.69 HSD17B10 (0.54) CYP1A2MAPTALDH1A1HPGDLMNA
SCHEMBL7111037 0.68 MAPT (0.54) CYP1A2MAPTALDH1A1HPGDRAB9A
SCHEMBL7915404 0.68 CYP1A2 (0.60) GABRPGABRDGABRA1GABRB1GABRG2
Dibenzothiophene SCHEMBL11884108 0.68 GPR3 (0.67) CYP1A2MAPTALDH1A1HPGDLMNA
Dibenzothiophene SCHEMBL28857076 0.67 GPR3 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
Dibenzothiophene SCHEMBL21465288 0.66 GPR3 (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11574320 0.66 GRIN2D (0.47) CYP1A2MAPTALDH1A1HPGDRAB9A

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-2636709-B1 Actinic radiation-curing type ink set, inkjet recording method, and printed material FUJIFILM CORP (JP) 2017-04-05 — — EP disclosed
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