SCHEMBL24257250

SCHEMBL24257250

CC(C)(C)OC(=O)NCCOC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c2ccccc2C1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.46
▸ MALT1 Q9UDY8 1/20 0.42
▸ IDO1 P14902 1/20 0.40
▸ PDK2 Q15119 1/20 0.37
▸ TPSAB1 Q15661 1/20 0.37
▸ TPSD1 Q9BZJ3 1/20 0.37
▸ TPSG1 Q9NRR2 1/20 0.37
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PCSK9 Q8NBP7 1/20 0.35
▸ KCNA5 P22460 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL24257146 0.84 SYK (0.51) SYKMALT1IDO1PDK2TPSAB1
SCHEMBL12719469 0.79 ATM (0.53) SYKATM
SCHEMBL23653517 0.77 LMNA (0.42) MALT1IDO1L3MBTL1LMNAHPGD
SCHEMBL24702203 0.76 RAB9A (0.40) MALT1IDO1L3MBTL1LMNAHPGD
SCHEMBL24701949 0.76 RAB9A (0.40) MALT1IDO1L3MBTL1LMNAHPGD
SCHEMBL30500909 0.74 SYK (0.52) SYKMALT1ATMALDH1A1
SCHEMBL12838350 0.73 IDO1 (0.40) IDO1L3MBTL1LMNAHPGDATM
SCHEMBL24702157 0.73 HDAC3 (0.52) —
SCHEMBL23435749 0.73 ATM (0.35) IDO1L3MBTL1LMNAHPGDATM
SCHEMBL24257237 0.72 SYK (0.50) SYKMALT1TPSAB1TPSD1TPSG1

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-2022036176-A1 N-CYCLYL-SULFONAMIDES USEFUL FOR INHIBITING RAF ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2022-02-17 — — WO disclosed
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