SCHEMBL30141549

SCHEMBL30141549

NC(=O)c1cc(NC(=O)c2c(C(F)(F)F)c(C3CC3)nn2CC2CCCCO2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
CASP6 P55212 1/20 0.37
CNR2 P34972 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.35
CRACR2A Q9BSW2 2/20 0.35
HTR2C P28335 4/20 0.35
SLC6A4 P31645 4/20 0.35
GRM4 Q14833 2/20 0.35
ROCK1 Q13464 1/20 0.34

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
SCHEMBL24758160 1.00 JAK2 (0.38) JAK2JAK1JAK3CASP6CNR2
SCHEMBL24758163 0.90 ALDH1A1 (0.41) CASP6CNR2ALDH1A1MEN1KMT2A
SCHEMBL24758415 0.87 SCN10A (0.40) CNR2ALDH1A1POLBGRM4
SCHEMBL30141451 0.87 SCN10A (0.40) CNR2ALDH1A1POLBGRM4
SCHEMBL24757318 0.87 SCN10A (0.40) CNR2ALDH1A1POLBGRM4
SCHEMBL24757336 0.83 AKR1C3 (0.37) CRACR2A
SCHEMBL24906276 0.83 SCN10A (0.42) ALDH1A1MEN1KMT2A
SCHEMBL30141552 0.81 PDE8B (0.43) ALDH1A1GAAKMT2AKDM4EHPGD
SCHEMBL24906447 0.80 SCN10A (0.43) CNR2
SCHEMBL24906475 0.80 SCN10A (0.43) CNR2

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