SCHEMBL15212580

SCHEMBL15212580

COc1c(C(=O)Nc2nnnn2C)ccc(C(F)(F)F)c1SC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
CBLB Q13191 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 4/20 0.33
PDE4D Q08499 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
CTSS P25774 1/20 0.32
TP53 P04637 1/20 0.32
NPC1 O15118 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL15786298 0.86 POLB (0.48) POLBTMPRSS4CYP1A2CYP2C9HPGD
SCHEMBL16760606 0.85 POLB (0.53) POLBTMPRSS4CYP1A2CYP2C9HPGD
SCHEMBL22231261 0.85 POLB (0.47) POLBTMPRSS4CYP1A2CYP2C9HPGD
SCHEMBL31440661 0.84 POLB (0.48) POLBCBLBCYP1A2CYP2C9HPGD
SCHEMBL22462323 0.84 POLB (0.48) POLBCBLBCYP1A2CYP2C9HPGD
SCHEMBL15212582 0.82 POLB (0.45) POLBCBLBTMPRSS4CYP1A2CYP2C9
SCHEMBL17410605 0.81 POLB (0.46) POLBCBLBTMPRSS4CYP1A2CYP2C9
SCHEMBL22230816 0.81 POLB (0.46) POLBCBLBCYP1A2CYP2C9HPGD
SCHEMBL19336127 0.80 POLB (0.50) POLBCBLBTMPRSS4CYP1A2CYP2C9
SCHEMBL30006828 0.80 POLB (0.45) POLBCYP1A2CYP2C9HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817296-B1 HERBICIDALLY ACTIVE 3-(SULFIN-/SULFONIMIDOYL)-BENZAMIDES BAYER IP GMBH (DE) 2016-08-31 EP disclosed
US-9167819-B2 Herbicidal 3-(sulfin-/sulfonimidoyl)-benzamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
EP-2817296-A1 HERBICIDAL 3 - ( SULFIN- /SULFONIMIDOYL) - BENZAMIDES Bayer Intellectual Property GmbH (DE) 2014-12-31 EP disclosed
WO-2013124228-A1 HERBICIDAL 3 - ( SULFIN- /SULFONIMIDOYL) - BENZAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 WO disclosed