SCHEMBL24676686

SCHEMBL24676686

OCCc1nc(C(F)(F)F)cs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TKT P29401 4/20 0.35
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
LMNA P02545 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR2 O15552 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL485332 0.84 SCN9A (0.37) LMNAHDAC4EGLN2EGLN1EGLN3
SCHEMBL28860776 0.81 LMNA (0.36) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL19370158 0.81 LOXL2 (0.46) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL27841676 0.81 LMNA (0.33) HDAC1HDAC6LMNAMEN1KMT2A
SCHEMBL16592085 0.78 SLC6A3 (0.39) HDAC1HDAC6LMNAHDAC3HDAC4
SCHEMBL16716199 0.78 LMNA (0.36) LMNAEGLN2EGLN1EGLN3MEN1
SCHEMBL20534645 0.76 LMNA (0.35) LMNAEGLN2EGLN1EGLN3MEN1
SCHEMBL20907801 0.76 LOXL2 (0.36) LMNAEGLN2EGLN1EGLN3MEN1
SCHEMBL2305852 0.76 IDH1 (0.36) LMNAEGLN2EGLN1EGLN3MEN1
SCHEMBL13104068 0.76 LMNA (0.38) LMNAEGLN2EGLN1EGLN3MEN1

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
WO-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed
WO-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed