SCHEMBL7737500

SCHEMBL7737500

c1ccc(Sc2ccccc2-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NSD2 O96028 1/20 0.48
HTR7 P34969 1/20 0.43
SIRT1 Q96EB6 1/20 0.41
ALDH1A1 P00352 5/20 0.39
ADORA2A P29274 1/20 0.39
HSD17B10 Q99714 3/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38
CYP2A6 P11509 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37

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
SCHEMBL6550775 0.96 MAPT (0.52) MAPK1MAPTKDM4ENSD2HTR7
SCHEMBL15418802 0.94 MAPK1 (0.43) MAPK1MAPTKDM4ENSD2HTR7
Hydrogen Sulfide SCHEMBL27169707 0.93 MAPT (0.50) MAPK1MAPTKDM4ENSD2HTR7
SCHEMBL9568786 0.91 MAPT (0.48) MAPK1MAPTKDM4ENSD2HTR7
SCHEMBL17065474 0.91 MAPT (0.48) MAPK1MAPTKDM4ENSD2HTR7
SCHEMBL10706537 0.91 MAPT (0.48) MAPK1MAPTKDM4ENSD2HTR7
SCHEMBL27880556 0.89 MAPK1 (0.46) MAPK1MAPTKDM4ENSD2HTR7
SCHEMBL3282692 0.87 MAPT (0.44) MAPK1MAPTKDM4ENSD2HTR7
SCHEMBL17292795 0.87 MAPK1 (0.48) MAPK1MAPTKDM4ENSD2HTR7
SCHEMBL3787013 0.86 CYP3A4 (0.46) MAPK1MAPTKDM4ENSD2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214630-A2 MICROFABRICATED DEVICES AND METHOD OF MANUFACTURING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2002-06-19 EP disclosed
WO-2001007506-A2 MICROFABRICATED DEVICES AND METHOD OF MANUFACTURING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2001-02-01 WO disclosed