SCHEMBL4944563

SCHEMBL4944563

NNC(=O)c1ccc2c(ccc3ccccc32)c1C(=O)NN.O=C(O)c1ccc2c(c1C(=O)O)Cc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.40
CYP2C9 P11712 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
HPGD P15428 1/20 0.36
WDR5 P61964 1/20 0.35
LDHA P00338 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
PPARG P37231 1/20 0.34
PNMT P11086 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 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
SCHEMBL4944558 0.98 SOS1 (0.41) SOS1CYP2C9TSHRALDH1A1CYP1A2
SCHEMBL712805 0.81 WDR5 (0.51) SOS1CYP2C9TSHRALDH1A1CYP1A2
SCHEMBL712806 0.79 MAPT (0.50) SOS1CYP2C9ALDH1A1CYP1A2WDR5
SCHEMBL3720118 0.78 HSP90AA1 (0.50) CYP2C9TSHRALDH1A1CYP1A2HPGD
SCHEMBL31158183 0.78 HSP90AA1 (0.50) CYP2C9TSHRALDH1A1CYP1A2HPGD
SCHEMBL5480836 0.75 WDR5 (0.56) CYP2C9ALDH1A1CYP1A2HPGDWDR5
SCHEMBL856182 0.72 MAPT (0.50) CYP2C9ALDH1A1CYP1A2WDR5LDHA
SCHEMBL183135 0.71 WDR5 (0.61) SOS1TSHRALDH1A1CYP1A2HPGD
SCHEMBL31613859 0.71 WDR5 (0.61) SOS1TSHRALDH1A1CYP1A2HPGD
SCHEMBL11928243 0.71 WDR5 (0.61) SOS1TSHRALDH1A1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459317-B2 Method for detecting an analyte in a sample ALVERIX, INC. (US) 2008-12-02 US disclosed
US-20080003621-A1 Method for Detecting an Analyte in a Sample AVAGO TECHNOLOGIES GENERAL IP (SINGAPORE) PTD. LTD. (SG) 2008-01-03 US disclosed
US-20080003622-A1 Methods for detecting an analyte in a sample AVAGO TECHNOLOGIES GENERAL IP (SINGAPORE) PTD. LTD. (SG) 2008-01-03 US disclosed