SCHEMBL991185

SCHEMBL991185

C=C(CBr)c1ccc(OC)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ACHE P22303 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
AR P10275 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
TUBB1 Q9H4B7 2/20 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
SCHEMBL16795557 0.85 HTT (0.57) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL8152340 0.84 CYP2C9 (0.53) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL773681 0.80 HTT (0.65) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL29620834 0.80 HTT (0.65) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL15691255 0.79 HTT (0.68) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL25555258 0.78 HTT (0.50) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL989952 0.78 CES2 (0.48) RAB9AMEN1KMT2AKCNQ3KCNQ2
SCHEMBL27005611 0.75 HTT (0.57) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL16798293 0.74 HTT (0.67) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL16957278 0.74 HTT (0.67) HTTLMNAMAPK1RAB9ATAS1R3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480079-A1 PYRIDO(3,4-B)INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-08-01 EP disclosed
EP-2480080-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-08-01 EP disclosed
EP-2348847-A1 AZEPINO [4, 5-B] INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-08-03 EP disclosed
EP-2346332-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES Medivation Technologies, Inc. (US) 2011-07-27 EP disclosed
WO-2011038162-A1 PYRIDO(3,4-B)INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
WO-2011038163-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
EP-2280968-A2 PYRIDO [3, 4-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-02-09 EP disclosed
EP-2274307-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-01-19 EP disclosed
WO-2010051503-A1 AZEPINO [4, 5-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 WO disclosed
WO-2009120720-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES,INC. (US) 2009-10-01 WO disclosed