Sugi Predict

Sugi Predict / Compounds / SCHEMBL30141552

SCHEMBL30141552

SCHEMBL30141552

NC(=O)c1c(C(F)(F)F)c(C2CC2)nn1CC1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE8B O95263 17/20 0.43
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL24758162 0.90 PDE8B (0.42) PDE8BKMT2A
SCHEMBL24758324 0.86 PDE8B (0.41) PDE8BKMT2AKDM4EALDH1A1GLA
SCHEMBL24906324 0.84 ALDH1A1 (0.43) PDE8BKMT2AKDM4EALDH1A1GAA
SCHEMBL30141549 0.81 JAK2 (0.38) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL30141451 0.81 SCN10A (0.40) PDE8BALDH1A1
SCHEMBL24758160 0.81 JAK2 (0.38) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL24757318 0.81 SCN10A (0.40) PDE8BALDH1A1
SCHEMBL24758415 0.81 SCN10A (0.40) PDE8BALDH1A1
SCHEMBL24906318 0.79 PDE8B (0.41) PDE8B
SCHEMBL24758163 0.77 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4355733-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2024-04-24 — — EP disclosed
WO-2022263498-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2022-12-22 — — WO disclosed