SCHEMBL3725873

SCHEMBL3725873

Cc1cn(Cc2ccccc2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
LMNA P02545 3/20 0.45
POLB P06746 2/20 0.45
CYP19A1 P11511 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
TBXAS1 P24557 1/20 0.45
QPCT Q16769 1/20 0.45
CYP4Z1 Q86W10 1/20 0.45
QPCTL Q9NXS2 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
TSHR P16473 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ELANE P08246 2/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43

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
SCHEMBL24015551 0.86 TSHR (0.46) HPGDLMNAPOLBCYP19A1CYP1A2
SCHEMBL29958231 0.82 POLB (0.41) HPGDLMNAPOLBCYP19A1CYP1A2
SCHEMBL5490865 0.76 CYP19A1 (0.45) HPGDPOLBCYP19A1CYP1A2CYP3A4
SCHEMBL1564273 0.76 CA12 (0.47) HPGDLMNAPOLBCYP19A1CYP1A2
SCHEMBL13357769 0.76 SIGMAR1 (0.46) POLBCYP19A1CYP1A2CYP3A4CYP2D6
SCHEMBL28080846 0.74 HPGDS (0.49) LMNAPOLBCYP19A1CYP1A2CYP3A4
SCHEMBL31212412 0.74 CYP19A1 (0.44) LMNAPOLBCYP19A1CYP1A2CYP3A4
SCHEMBL1196872 0.73 HPGDS (0.51) POLBCYP19A1CYP1A2CYP3A4CYP2D6
SCHEMBL35352 0.72 CYP19A1 (0.56) LMNAPOLBCYP19A1CYP1A2CYP3A4
Ethane SCHEMBL29134244 0.71 HPGDS (0.50) POLBCYP19A1CYP1A2CYP3A4CYP2D6

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
WO-2023072974-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed
EP-2142297-A1 POROUS ORGANOMETALLIC FRAMEWORK MATERIALS LOADED WITH CATALYST METAL COMPONENTS BASF SE (DE) 2010-01-13 EP disclosed
EP-2013144-A1 METAL OXIDES PRODUCED FROM METAL-ORGANIC FRAMEWORK MATERIALS BASF SE (DE) 2009-01-14 EP disclosed
WO-2008129024-A1 POROUS ORGANOMETALLIC FRAMEWORK MATERIALS LOADED WITH CATALYST METAL COMPONENTS BASF SE (DE) 2008-10-30 WO disclosed
EP-1888129-A1 SUSPENSION FOR REDUCING ODOURS BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP disclosed
WO-2007118843-A1 METAL OXIDES PRODUCED FROM METAL-ORGANIC FRAMEWORK MATERIALS BASF SE (DE) 2007-10-25 WO disclosed
WO-2006125739-A1 SUSPENSION FOR REDUCING ODOURS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed
EP-1689670-A1 METHOD FOR THE CONTROLLED STORAGE AND RELEASE OF GASES USING AN ELECTROCHEMICALLY PRODUCED CRYSTALLINE, POROUS, ORGANOMETALLIC SKELETON MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2006-08-16 EP disclosed
EP-1687462-A1 METHOD FOR ELECTROCHEMICAL PRODUCTION OF A CRYSTALLINE POROUS METAL ORGANIC SKELETON MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2006-08-09 EP disclosed
WO-2006072573-A2 ADSORPTIVE PRODUCTION OF XENON FROM KRYPTON/XENON GAS MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2006-07-13 WO disclosed
WO-2005049484-A1 METHOD FOR THE CONTROLLED STORAGE AND RELEASE OF GASES USING AN ELECTROCHEMICALLY PRODUCED CRYSTALLINE, POROUS, ORGANOMETALLIC SKELETON MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2005-06-02 WO disclosed
WO-2005049892-A1 METHOD FOR ELECTROCHEMICAL PRODUCTION OF A CRYSTALLINE POROUS METAL ORGANIC SKELETON MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2005-06-02 WO disclosed