SCHEMBL30141513

SCHEMBL30141513

CCOC(=O)c1c(C)c(C(C)(F)F)nn1CC1(C(F)F)CC(F)(F)C1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SLC5A1 P13866 2/20 0.32
SLC5A2 P31639 2/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 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
SCHEMBL30141514 0.90 KDM4E (0.31) KDM4EALDH1A1HPGD
SCHEMBL30141538 0.87 KDM4E (0.32) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL24906254 0.86 KDM4E (0.33) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL24758326 0.81 KMT2A (0.34) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL24906208 0.81 KDM4E (0.32) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL30976103 0.81 KDM4E (0.33) KDM4EALDH1A1HPGDSLC5A1SLC5A2
SCHEMBL27417561 0.79 KDM4E (0.33) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL30958823 0.79 ALDH1A1 (0.33) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL27243079 0.77 KDM4E (0.33) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL30975933 0.76 KDM4E (0.35) KDM4EALDH1A1HPGDSLC5A1SLC5A2

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