SCHEMBL24568233

SCHEMBL24568233

CC(C)[C@@H](C)NC(=O)c1cncs1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 8/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ PIK3CD O00329 1/20 0.43
▸ ABL1 P00519 1/20 0.39
▸ CSF1R P07333 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ TAS1R3 Q7RTX0 2/20 0.38
▸ TAS1R1 Q7RTX1 2/20 0.38
▸ TAS1R2 Q8TE23 2/20 0.38
▸ KIF11 P52732 1/20 0.38

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
SCHEMBL2614311 0.86 ACACB (0.52) ACACBKMT2APIK3CDABL1HDAC1
SCHEMBL24568381 0.80 ACACB (0.55) ACACBKMT2AKIF11
SCHEMBL1992633 0.79 KMT2A (0.49) ACACBKMT2AABL1HDAC1KIF11
SCHEMBL24567564 0.78 ACACB (0.53) ACACBKMT2APIK3CDHDAC1TAS1R3
SCHEMBL2780654 0.76 — —
SCHEMBL343489 0.76 — —
SCHEMBL30565167 0.75 ACACB (0.62) ACACB
SCHEMBL3425315 0.75 — —
SCHEMBL5140577 0.75 KMT2A (0.51) ACACBKMT2APIK3CDABL1CSF1R
Hydrochloric Acid SCHEMBL23411737 0.74 KMT2A (0.51) ACACBKMT2APIK3CDABL1CSF1R

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-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 — — WO disclosed
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