SCHEMBL6533419

SCHEMBL6533419

O=C(NOCc1c(Cl)cncc1Cl)c1cccc2[nH]c3ccccc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SGMS2 Q8NHU3 1/20 0.36

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
SCHEMBL5025178 0.81 HSD17B10 (0.45) NPC1RAB9APARP1IMPDH2
SCHEMBL6532850 0.79 MEN1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5025239 0.74 NPC1 (0.42) NPC1RAB9AKDM4E
SCHEMBL5025403 0.72 NPC1 (0.34) NPC1RAB9ASGMS2ITGB1ITGA4
SCHEMBL5739357 0.71 NPC1 (0.33) NPC1RAB9ASGMS2ROCK2MEN1
SCHEMBL5737976 0.70 TSHR (0.41) NPC1RAB9ASGMS2PTGS2KDM4E
SCHEMBL1715877 0.70 PTGS2 (0.54) NPC1RAB9APTGS2KDM4EGAA
SCHEMBL8573304 0.69 PLK1 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5738928 0.68 NPC1 (0.39) NPC1RAB9AMAPT
SCHEMBL6472103 0.68 PDE4B (0.42) MEN1KMT2A

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-1554262-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals Limited (IN) 2005-07-20 EP disclosed
WO-2004037805-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2004-05-06 WO disclosed