SCHEMBL16454261

SCHEMBL16454261

Cn1ccc2c(ccc3[nH]c4ccccc4c32)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.46
▸ GABRD O14764 1/20 0.46
▸ GABRA1 P14867 1/20 0.46
▸ GABRB1 P18505 1/20 0.46
▸ GABRG2 P18507 1/20 0.46
▸ GABRB3 P28472 1/20 0.46
▸ GABRA5 P31644 1/20 0.46
▸ GABRA3 P34903 1/20 0.46
▸ GABRA2 P47869 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ GABRA4 P48169 1/20 0.46
▸ GABRE P78334 1/20 0.46
▸ GABRA6 Q16445 1/20 0.46
▸ GABRG1 Q8N1C3 1/20 0.46
▸ GABRG3 Q99928 1/20 0.46
▸ GABRQ Q9UN88 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ ADORA1 P30542 1/20 0.45

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
SCHEMBL16102378 0.80 ADORA3 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12219442 0.78 GABRP (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12240744 0.76 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23132415 0.75 PARP1 (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28895093 0.74 CYP1A2 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22211849 0.74 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23132411 0.74 PARP1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16625980 0.73 MEN1 (0.53) KDM4EALDH1A1LMNAHPGDABCG2
SCHEMBL16625983 0.72 KDM4E (0.33) GAAKDM4EALDH1A1LMNAHPGD
SCHEMBL16131480 0.72 CDK4 (0.59) 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
WO-2015050471-A1 CARBAZOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-04-09 — — WO disclosed
WO-2015020553-A1 CARBAZOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-02-12 — — WO disclosed
Send feedback