SCHEMBL8147679

SCHEMBL8147679

COc1nn(C)c(=O)n1-c1ccccc1CO/N=C(\N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 4/20 0.33
USP2 O75604 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 3/20 0.33
HIF1A Q16665 2/20 0.33
RHOC P08134 1/20 0.32
RHOA P61586 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.31
CYP3A4 P08684 2/20 0.31
LMNA P02545 1/20 0.31
GPBAR1 Q8TDU6 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
NR2E1 Q9Y466 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL8147682 1.00 TDP1 (0.37) TDP1TSHRUSP2SMN1; SMN2MAPT
SCHEMBL8147257 0.91 TSHR (0.33) TDP1TSHRUSP2SMN1; SMN2ALDH1A1
SCHEMBL8147256 0.91 TSHR (0.33) TDP1TSHRUSP2SMN1; SMN2ALDH1A1
SCHEMBL32678199 0.85 KMT2A (0.37) SMN1; SMN2MAPTALDH1A1KMT2APOLB
SCHEMBL29870686 0.85 KMT2A (0.37) SMN1; SMN2MAPTALDH1A1KMT2APOLB
SCHEMBL119997 0.85 KMT2A (0.37) SMN1; SMN2MAPTALDH1A1KMT2APOLB
SCHEMBL959562 0.85 KMT2A (0.37) SMN1; SMN2MAPTALDH1A1KMT2APOLB
SCHEMBL119998 0.85 KMT2A (0.37) SMN1; SMN2MAPTALDH1A1KMT2APOLB
SCHEMBL8155255 0.82 GAA (0.34) MAPTALDH1A1KMT2AKDM4EPOLB
SCHEMBL8155257 0.82 GAA (0.34) MAPTALDH1A1KMT2AKDM4EPOLB

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
US-6057352-A CONTROLLING PLANT DISEASES CAUSED BY FUNGAL PLANT PATHOGENS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed