SCHEMBL30327770

SCHEMBL30327770

Cc1cc(C(F)(F)F)nnc1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
NT5E P21589 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
SCHEMBL17816259 0.80 GABRA2 (0.31) GABRA2GABRB2
SCHEMBL18307332 0.77 KDM4E (0.43) KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL21985479 0.76 TRPV4 (0.35) KDM4ENT5E
SCHEMBL26598284 0.74 NT5E (0.37) NT5E
SCHEMBL17688749 0.74 HSP90AA1 (0.44) KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL20349163 0.74 GABRB3 (0.33) LMNAGABRA2GABRB2
SCHEMBL22598457 0.74 PDE5A (0.35) KDM4ELMNA
SCHEMBL11985863 0.72 HSP90AA1 (0.42) KDM4ELMNAHSP90AA1HSP90AB1NT5E
SCHEMBL20972290 0.72 AR (0.38) GABRA2GABRB2
SCHEMBL30636520 0.72 AR (0.38) GABRA2GABRB2

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-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 EP disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed