SCHEMBL30152391

SCHEMBL30152391

Nc1ccc(NC(=O)C2CCC(F)(F)CC2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
HDAC1 Q13547 6/20 0.46
HDAC2 Q92769 6/20 0.46
HDAC3 O15379 5/20 0.46
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.40
BACE1 P56817 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL24969552 1.00 KMT2A (0.55) KMT2AHDAC1HDAC2HDAC3TP53
SCHEMBL25845880 0.85 HDAC3 (0.60) KMT2AHDAC1HDAC2HDAC3TP53
SCHEMBL18508243 0.80 AAK1 (0.59) KMT2AHDAC1HDAC2HDAC3POLB
SCHEMBL30152223 0.80 KMT2A (0.50) KMT2ATP53MEN1HTTGAA
SCHEMBL24969054 0.78 KMT2A (0.48) KMT2AHDAC1HDAC2HDAC3TP53
SCHEMBL26122265 0.77 KMT2A (0.59) KMT2AHDAC1HDAC2HDAC3TP53
SCHEMBL26673872 0.75 GSK3B (0.41) BACE1
SCHEMBL27178877 0.74 KMT2A (0.49) KMT2AHDAC1HDAC2HDAC3TP53
SCHEMBL27178847 0.74 KMT2A (0.49) KMT2AHDAC1HDAC2HDAC3TP53
SCHEMBL23783189 0.73 PTPN2 (0.58) KMT2AHDAC1HDAC2HDAC3TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed