SCHEMBL2044965

SCHEMBL2044965

O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1.O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 1.00
TSHR P16473 3/20 1.00
CYP1A2 P05177 1/20 0.67
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 2/20 0.45
P2RY6 Q15077 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
TRPA1 O75762 1/20 0.42
SLC22A2 O15244 1/20 0.38
ALDH1A1 P00352 4/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CYP2C9 P11712 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL12852256 1.00 CYP3A4 (1.00) CYP3A4TSHRCYP1A2TDP1MAPK1
SCHEMBL1396496 1.00 CYP3A4 (1.00) CYP3A4TSHRCYP1A2TDP1MAPK1
SCHEMBL19943 1.00 CYP3A4 (1.00) CYP3A4TSHRCYP1A2TDP1MAPK1
Ammonia Solution, Strong SCHEMBL3504367 0.98 CYP3A4 (0.95) CYP3A4TSHRCYP1A2TDP1MAPK1
SCHEMBL30634516 0.98 CYP3A4 (0.95) CYP3A4TSHRCYP1A2TDP1MAPK1
Water SCHEMBL8522858 0.98 CYP3A4 (0.95) CYP3A4TSHRCYP1A2TDP1MAPK1
Ethane SCHEMBL20537385 0.95 CYP3A4 (0.91) CYP3A4TSHRCYP1A2TDP1MAPK1
SCHEMBL2988002 0.93 CYP3A4 (0.87) CYP3A4TSHRCYP1A2TDP1MAPK1
SCHEMBL22966327 0.93 CYP3A4 (0.87) CYP3A4TSHRCYP1A2TDP1MAPK1
SCHEMBL6053390 0.93 CYP3A4 (0.87) CYP3A4TSHRCYP1A2TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350103-B2 Spray foam splint THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2019-07-16 US disclosed
CN-109652993-A Shape memory polyurethane composition and the laminate for using it 台北科技大学 2019-04-19 CN disclosed
US-20160317343-A1 SPRAY FOAM SPLINT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2016-11-03 US disclosed
US-9427489-B2 Spray foam splint THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2016-08-30 US disclosed
US-20130324897-A1 SPRAY FOAM SPLINT USA, AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2013-12-05 US disclosed
EP-2516496-A2 ONE-SHOT PROCESS FOR THE PRODUCTION OF THERMOPLASTIC POLYURETHANE MODIFIED WITH STYRENIC BLOCK COPOLYMERS Epaflex Polyurethanes S.r.l. (IT) 2012-10-31 EP disclosed
WO-2012067620-A1 SPRAY FOAM SPLINT THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF WILLIAM BEAUMONT ARMY (US) 2012-05-24 WO disclosed
WO-2011077234-A2 ONE-SHOT PROCESS FOR THE PRODUCTION OF THERMOPLASTIC POLYURETHANE MODIFIED WITH STYRENIC BLOCK COPOLYMERS EPAFLEX POLYURETHANES S.R.L. (IT) 2011-06-30 WO disclosed