SCHEMBL30736170

SCHEMBL30736170

CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])nc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.52
▸ ABL1 P00519 1/20 0.45
▸ RIN1 Q13671 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ USP30 Q70CQ3 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MMP1 P03956 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
SCHEMBL26986481 0.86 KDM4E (0.45) KMT2AALDH1A1HPGDRAB9AKDM4E
SCHEMBL27135713 0.86 KDM4E (0.45) KMT2AALDH1A1HPGDRAB9AKDM4E
SCHEMBL30025905 0.85 KMT2A (0.53) KMT2AABL1RIN1ALDH1A1HPGD
SCHEMBL27157300 0.85 KMT2A (0.53) KMT2AABL1RIN1ALDH1A1HPGD
SCHEMBL27157330 0.80 KMT2A (0.62) KMT2AABL1RIN1ALDH1A1HPGD
SCHEMBL30217976 0.77 ALDH1A1 (0.45) ALDH1A1RAB9AUSP30MAPTHDAC4
SCHEMBL29119864 0.77 ALDH1A1 (0.45) ALDH1A1RAB9AUSP30MAPTHDAC4
SCHEMBL29119866 0.77 ALDH1A1 (0.45) ALDH1A1RAB9AUSP30MAPTHDAC4
SCHEMBL30218491 0.77 ALDH1A1 (0.45) ALDH1A1RAB9AUSP30MAPTHDAC4
SCHEMBL28681115 0.76 CHEK2 (0.51) ALDH1A1USP30MAPTHPGDSGPR119

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-4551218-A2 POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 Dana-Farber Cancer Institute, Inc. (US) 2025-05-14 — — EP disclosed
WO-2024011116-A2 POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-01-11 — — WO disclosed
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