SCHEMBL2587500

SCHEMBL2587500

COc1ccccc1CNc1nc(Nc2cccc(Cl)c2)nc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.65
SOS1 Q07889 1/20 0.63
EGFR P00533 1/20 0.59
CYP1A2 P05177 9/20 0.56
CYP3A4 P08684 9/20 0.56
CYP2D6 P10635 9/20 0.56
CYP2C19 P33261 9/20 0.56
TSHR P16473 8/20 0.56
USP2 O75604 7/20 0.56
LMNA P02545 7/20 0.56
ALOX15 P16050 4/20 0.56
CYP2C9 P11712 7/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 3/20 0.56
HTT P42858 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
HIF1A Q16665 1/20 0.56
ALDH1A1 P00352 5/20 0.55
CLK4 Q9HAZ1 4/20 0.55

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
SCHEMBL2587390 0.86 SOS1 (0.66) SLC2A1SOS1USP2LMNAKMT2A
SCHEMBL2580717 0.86 SOS1 (0.69) SLC2A1SOS1USP2LMNAMEN1
SCHEMBL2590962 0.84 SOS1 (0.66) SLC2A1SOS1USP2LMNAKMT2A
SCHEMBL2588773 0.84 SOS1 (0.66) SLC2A1SOS1USP2LMNAMEN1
SCHEMBL2590586 0.84 SLC2A1 (0.73) SLC2A1SOS1EGFRLMNAKDM4E
SCHEMBL2590464 0.83 SLC2A1 (0.66) SLC2A1SOS1EGFRCYP1A2CYP3A4
SCHEMBL2583209 0.82 SOS1 (0.72) SLC2A1SOS1LMNAMEN1KMT2A
SCHEMBL2583888 0.82 SLC2A1 (0.53) SLC2A1SOS1LMNAKDM4ESMN1; SMN2
SCHEMBL2592287 0.82 SOS1 (0.71) SLC2A1SOS1LMNAMEN1KMT2A
SCHEMBL2588890 0.81 SOS1 (0.70) SLC2A1SOS1LMNAKMT2AKDM4E

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
EP-2566480-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE California Institute of Technology (US) 2013-03-13 EP disclosed
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO disclosed
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO disclosed