SCHEMBL30680980

SCHEMBL30680980

Nc1ccc2c(C(F)(F)C(F)(F)F)cc(C(F)(F)F)nc2n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.79
KMT2A Q03164 3/20 0.79
KDM4E B2RXH2 2/20 0.79
MAPT P10636 8/20 0.52
GAA P10253 3/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 5/20 0.46
NR2F2 P24468 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
LMNA P02545 4/20 0.44
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
NPSR1 Q6W5P4 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
TNF P01375 1/20 0.40
NOD2 Q9HC29 1/20 0.40

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
SCHEMBL11716981 0.92 ALDH1A1 (0.67) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL11722619 0.89 ALDH1A1 (1.00) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL30996188 0.89 ALDH1A1 (1.00) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL30680981 0.88 ALDH1A1 (0.79) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL11718448 0.81 KDM4E (0.53) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL30680916 0.78 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL11727213 0.78 KDM4E (0.69) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL11717516 0.75 KDM4E (0.53) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL14879442 0.74 ALDH1A1 (0.69) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL11721556 0.73 KDM4E (0.57) ALDH1A1KMT2AKDM4EMAPTGAA

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
WO-2023244672-A1 2-(IMIDAZO[1, 2-A]1,8-NAPHTHYRIDIN-8-YL)-1,3,4-OXADIAZOLE DERIVATIVES AS ENHANCERS OF INNATE IMMUNE RESPONSE FOR THE TREATMENT OF VIRAL INFECTIONS ASSEMBLY BIOSCIENCES, INC. (US) 2023-12-21 WO disclosed