SCHEMBL948241

SCHEMBL948241

COc1c2ccccc2c(OC)c2cc(S(=O)(=O)OCc3cccc([N+](=O)[O-])c3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
MAPT P10636 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAOB P27338 4/20 0.41
MAOA P21397 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL335568 0.90 HTT (0.44) PRMT5WDR77HTR1AADRA1DADRA1A
SCHEMBL30139585 0.90 HTT (0.44) PRMT5WDR77HTR1AADRA1DADRA1A
SCHEMBL948622 0.85 ALDH1A1 (0.36) HTR1AMAPTMEN1ALDH1A1KMT2A
SCHEMBL10404455 0.81 HTR1A (0.40) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL2551504 0.79 CYP1A2 (0.61) PRMT5WDR77CYP1A2CYP2C19MEN1
SCHEMBL1109650 0.79 MEN1 (0.42) MEN1KMT2AMAOBMAOALMNA
SCHEMBL31233774 0.79 MEN1 (0.42) MEN1KMT2AMAOBMAOALMNA
SCHEMBL9304464 0.77 MEN1 (0.41) HTR1AADRA1DADRA1AADRA1BMEN1
Dinitrophenylene SCHEMBL27798008 0.76 AR (0.55) PRMT5WDR77CYP1A2CYP2C19MEN1
SCHEMBL12595121 0.76 MEN1 (0.42) HTR1AADRA1DADRA1AADRA1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258951-B1 PHOTORESPONSIVE GAS-GENERATING MATERIAL, MICROPUMP AND MICROFLUID DEVICE SEKISUI CHEMICAL CO LTD (JP) 2018-08-22 EP disclosed
EP-3093502-B1 MICRO FLUID DEVICE SEKISUI CHEMICAL CO LTD (JP) 2018-07-04 EP disclosed
EP-2256349-B1 MICRO FLUID DEVICE SEKISUI CHEMICAL CO LTD (JP) 2017-04-26 EP disclosed
EP-3093502-A1 MICRO FLUID DEVICE SEKISUI CHEMICAL CO., LTD. (JP) 2016-11-16 EP disclosed
US-8771612-B2 Photoresponsive gas-generating material, micropump and microfluid device SEKISUI CHEMICAL CO., LTD. (JP) 2014-07-08 US disclosed
US-20140134075-A1 PHOTORESPONSIVE GAS-GENERATING MATERIAL, MICROPUMP AND MICROFLUID DEVICE SEKISUI CHEMICAL CO., LTD. (JP) 2014-05-15 US disclosed
US-8197773-B2 Micro fluid device SEKISUI CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20110044863-A1 MICRO FLUID DEVICE SEKISUI CHEMICAL CO., LTD. (JP) 2011-02-24 US disclosed
US-20110014096-A1 PHOTORESPONSIVE GAS-GENERATING MATERIAL, MICROPUMP AND MICROFLUID DEVICE SEKISUI CHEMICAL CO., LTD. (JP) 2011-01-20 US disclosed
EP-2258951-A1 PHOTORESPONSIVE GAS-GENERATING MATERIAL, MICROPUMP AND MICROFLUID DEVICE Sekisui Chemical Co., Ltd. (JP) 2010-12-08 EP disclosed
EP-2256349-A1 MICRO FLUID DEVICE Sekisui Chemical Co., Ltd. (JP) 2010-12-01 EP disclosed