SCHEMBL16723344

SCHEMBL16723344

Ic1cccc2c1C1c3ccccc3C2c2c(I)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
TAAR1 Q96RJ0 1/20 0.38
HTR2A P28223 5/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IDO1 P14902 2/20 0.32
RET P07949 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31

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
SCHEMBL16723369 0.77 PDK2 (0.41) MEN1ALDH1A1CYP3A4
SCHEMBL26218564 0.76 MEN1 (0.39) MEN1KMT2AGAA
SCHEMBL25566979 0.73 MEN1 (0.36) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL25118993 0.73 MEN1 (0.40) MEN1KMT2AGAAHTR2AKDM4E
SCHEMBL24524115 0.73 MEN1 (0.75) MEN1KMT2AGAAHTR2AKDM4E
SCHEMBL2229354 0.70 HTR2A (0.36) MEN1KMT2AGAAHTR2A
SCHEMBL7930927 0.69 GPR3 (0.34) HTR2A
SCHEMBL30969974 0.69 MEN1 (0.40) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL25118992 0.68 MEN1 (0.44) MEN1KMT2AGAATAAR1HTR2A
SCHEMBL31746992 0.68 MEN1 (0.44) MEN1KMT2AGAATAAR1HTR2A

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
US-9590181-B2 Triptycene derivatives having symmetric or asymmetric substituents and organic light emitting diode using the same NATIONAL TSING HUA UNIVERSITY (TW) 2017-03-07 US disclosed
US-9590181-B2 Triptycene derivatives having symmetric or asymmetric substituents and organic light emitting diode using the same NATIONAL TSING HUA UNIVERSITY (TW) 2017-03-07 US disclosed
US-20150137084-A1 TRIPTYCENE DERIVATIVES HAVING SYMMETRIC OR ASYMMETRIC SUBSTITUENTS AND ORGANIC LIGHT EMITTING DIODE USING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2015-05-21 US disclosed
US-20150137084-A1 TRIPTYCENE DERIVATIVES HAVING SYMMETRIC OR ASYMMETRIC SUBSTITUENTS AND ORGANIC LIGHT EMITTING DIODE USING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2015-05-21 US disclosed