SCHEMBL22368275

SCHEMBL22368275

Cc1cc(C(F)(F)F)c(C)n2nc(C(F)(F)F)nc12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PDE10A Q9Y233 5/20 0.36
▸ DHODH Q02127 3/20 0.35
▸ CYP1A2 P05177 1/20 0.31
▸ HTT P42858 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
SCHEMBL20106881 0.90 ALDH1A1 (0.37) ALDH1A1KMT2AKDM4ELMNAPDE10A
SCHEMBL20088555 0.84 KDM4E (0.36) ALDH1A1KMT2AKDM4ELMNAPDE10A
SCHEMBL20088528 0.84 KDM4E (0.36) ALDH1A1KMT2AKDM4ELMNAPDE10A
SCHEMBL20106759 0.78 KDM4E (0.34) ALDH1A1KMT2AKDM4ELMNADHODH
SCHEMBL20088554 0.71 KDM4E (0.33) ALDH1A1KMT2AKDM4ELMNADHODH
SCHEMBL20094672 0.71 TRPA1 (0.52) —
SCHEMBL20088561 0.69 PDE10A (0.38) KMT2AKDM4ELMNAPDE10AHTT
SCHEMBL20088513 0.68 KDM4E (0.41) ALDH1A1KMT2AKDM4ELMNAPDE10A
SCHEMBL20094352 0.68 KDM4E (0.41) ALDH1A1KMT2AKDM4ELMNAPDE10A
SCHEMBL28656098 0.67 NOTUM (0.33) ALDH1A1KMT2APDE10AHTT

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
EP-3532477-B1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-26 — — EP disclosed
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