SCHEMBL30141501

SCHEMBL30141501

CCOC(=O)c1c(C)c(C(F)(F)F)nn1CC1CCC(F)(F)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.34
PLAT P00750 1/20 0.34
SLC34A1 Q06495 1/20 0.33
MAPT P10636 1/20 0.33
CNR2 P34972 1/20 0.32
ATM Q13315 1/20 0.31
TSHR P16473 1/20 0.31
IDH1 O75874 1/20 0.30
KMT2A Q03164 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
SCHEMBL30951783 0.93 LMNA (0.33) KDM4EALDH1A1HPGDLMNASLC34A1
SCHEMBL24906332 0.93 LMNA (0.33) KDM4EALDH1A1HPGDLMNASLC34A1
SCHEMBL30951782 0.93 LMNA (0.33) KDM4EALDH1A1HPGDLMNASLC34A1
SCHEMBL24906284 0.90 KDM4E (0.35) KDM4EALDH1A1HPGDLMNAPLAT
SCHEMBL30141508 0.87 CHRM2 (0.31) KDM4ELMNATSHRIDH1
SCHEMBL30976021 0.86 LMNA (0.36) KDM4EALDH1A1HPGDLMNAPLAT
SCHEMBL24906342 0.85 LMNA (0.32) KDM4EALDH1A1HPGDLMNA
SCHEMBL27243079 0.84 KDM4E (0.33) KDM4EALDH1A1HPGDLMNASLC34A1
SCHEMBL30141544 0.84 MAPT (0.34) KDM4EALDH1A1HPGDLMNASLC34A1
SCHEMBL30975885 0.82 LMNA (0.32) KDM4EALDH1A1HPGDLMNAPLAT

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