SCHEMBL9706892

SCHEMBL9706892

C=CCc1ccccc1-n1ccnn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
KEAP1 Q14145 1/20 0.35
CYP19A1 P11511 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CHRNB2 P17787 1/20 0.34
CYP2B6 P20813 1/20 0.34
MAOA P21397 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR3A P46098 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL17739693 0.80 NOTUM (0.43) NOTUMKEAP1CYP19A1CYP1A2CYP2C9
SCHEMBL7559394 0.79 MAPK1 (0.47) NOTUMALDH1A1GABRA1GABRB2MEN1
SCHEMBL16793221 0.78 NOTUM (0.42) NOTUMKEAP1CYP19A1CYP1A2CYP2C9
SCHEMBL20774091 0.78 NOTUM (0.54) NOTUMKEAP1CYP19A1CYP1A2CYP2C9
SCHEMBL30332360 0.78 NOTUM (0.42) NOTUMKEAP1CYP19A1CYP1A2CYP2C9
SCHEMBL28188350 0.77 ALDH1A1 (0.49) NOTUMALDH1A1L3MBTL1GABRA1GABRB2
SCHEMBL17739709 0.75 NOTUM (0.44) NOTUMKEAP1CYP19A1CYP1A2CYP2C9
SCHEMBL20773632 0.75 NOTUM (0.40) NOTUMKEAP1CYP19A1
SCHEMBL1273149 0.75 NOTUM (0.37) NOTUMKEAP1CYP19A1CYP1A2CYP2C9
Iodide SCHEMBL30327029 0.72 CYP19A1 (0.46) NOTUMKEAP1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015161842-A1 AFTER-CLEANING METHOD FOR METALLIC CONTACT ELEMENTS HARTING KGAA (DE) 2015-10-29 WO claimed
EP-2468530-B1 Pneumatic tyres for a vehicle CONTINENTAL REIFEN DEUTSCHLAND (DE) 2014-02-26 EP claimed
WO-1992022686-A1 METHOD OF PRETREATING THE SURFACES OF NON-FERROUS METALS PRIOR TO GALVANIC DEPOSITION OF A COAT OF METAL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-12-23 WO claimed
CN-115960651-A Antioxidant composition and preparation method thereof 中国石油化工股份有限公司 2023-04-14 CN disclosed
WO-2015161842-A1 AFTER-CLEANING METHOD FOR METALLIC CONTACT ELEMENTS HARTING KGAA (DE) 2015-10-29 WO disclosed
WO-1992022686-A1 METHOD OF PRETREATING THE SURFACES OF NON-FERROUS METALS PRIOR TO GALVANIC DEPOSITION OF A COAT OF METAL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-12-23 WO disclosed