SCHEMBL7499863

SCHEMBL7499863

Cc1cc(C)c2c(Cl)c(C(=O)O)cnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
KDM4E B2RXH2 4/20 0.41
LDHA P00338 1/20 0.39
GAA P10253 3/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL438922 0.81 KDM4E (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7494095 0.75 SLC2A1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15215112 0.75 ALDH1A1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11708668 0.73 ALDH1A1 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7498304 0.72 ALDH1A1 (0.48) KDM4EGAALMNAALDH1A1PKM
SCHEMBL27554928 0.72 KDM4E (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7502162 0.71 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27607757 0.70 KDM4E (0.59) KDM4EGAALMNAALDH1A1CYP3A4
SCHEMBL24840857 0.70 DHODH (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11114430 0.69 GABRP (0.39) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1097459-C Diazepino-indoles as phosphodiesterase IV inhibitors JOUVEINAL INST RECH (FR) 2003-01-01 CN disclosed
EP-0785789-B1 DIAZEPINO-INDOLES AS PHOSPHODIESTERASE IV INHIBITORS PFIZER (FR) 2002-09-11 EP disclosed
CN-1160352-A Diaza * -oxindoles as phosphodiesterase IV inhibitors JOUVEINAL INST RECH (FR) 1997-09-24 CN disclosed
EP-0785789-A1 DIAZEPINO-INDOLES AS PHOSPHODIESTERASE IV INHIBITORS INSTITUT DE RECHERCHE JOUVEINAL (I.R.J) (FR) 1997-07-30 EP disclosed
WO-1996011690-A1 DIAZEPINO-INDOLES AS PHOSPHODIESTERASE IV INHIBITORS INSTITUT DE RECHERCHE JOUVEINAL (FR) 1996-04-25 WO disclosed