SCHEMBL28660979

SCHEMBL28660979

O=C(Nc1ccc(C#Cc2ccccc2)cc1)c1cc(O)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
HNF4A P41235 1/20 0.55
TMPRSS4 Q9NRS4 2/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
P2RX1 P51575 2/20 0.51
POLB P06746 1/20 0.50
PTPN11 Q06124 1/20 0.49
ALOX15 P16050 2/20 0.49
SNCA P37840 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL19024609 1.00 LMNA (0.56) LMNAHNF4ATMPRSS4MEN1KMT2A
SCHEMBL9806565 0.86 TMPRSS4 (0.71) LMNATMPRSS4MEN1KMT2AKDM4E
SCHEMBL19024610 0.83 LMNA (0.45) LMNAHNF4ATMPRSS4P2RX1ALOX15
SCHEMBL10439244 0.79 DEGS1 (0.69) MEN1KMT2AKDM4EPOLBSNCA
SCHEMBL11163149 0.79 P2RX1 (0.56) LMNATMPRSS4MEN1KMT2AKDM4E
SCHEMBL28660980 0.79 TMPRSS4 (0.51) LMNATMPRSS4P2RX1ALOX15SNCA
SCHEMBL24460421 0.77 P2RX1 (0.72) LMNATMPRSS4MEN1KMT2AKDM4E
SCHEMBL19024613 0.77 PLAU (0.61) LMNATMPRSS4MEN1KMT2ATP53
SCHEMBL19024624 0.77 P2RX1 (0.57) LMNATMPRSS4MEN1KMT2AKDM4E
SCHEMBL129733 0.77 TMPRSS4 (0.72) HNF4ATMPRSS4MEN1KMT2AP2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106946709-B Polymerizable liquid crystal compound, composition for optical film, and optical film, compensation film, antireflection film and display device 三星电子株式会社 2021-11-12 CN disclosed