SCHEMBL31393014

SCHEMBL31393014

CC(C)(C)OC(=O)N(c1ccc([N+](=O)[O-])cc1F)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
MAPT P10636 6/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 3/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 3/20 0.38
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
THRB P10828 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DRD2 P14416 1/20 0.36
ALOX5 P09917 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL30738805 0.87 ALDH1A1 (0.37) ALDH1A1MAPTHTTTP53LMNA
SCHEMBL27178666 0.86 MAPT (0.42) ALDH1A1MAPTNPSR1HTTTP53
SCHEMBL27270132 0.86 ALDH1A1 (0.42) ALDH1A1MAPTNPSR1HTTLMNA
SCHEMBL27267291 0.83 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1HTTLMNA
SCHEMBL2829001 0.83 ALDH1A1 (0.43) ALDH1A1MAPTNPSR1HTTTP53
SCHEMBL30369746 0.82 ALDH1A1 (0.45) ALDH1A1MAPTNPSR1HTTTP53
SCHEMBL18157850 0.82 ALDH1A1 (0.45) ALDH1A1MAPTNPSR1HTTTP53
SCHEMBL31392992 0.81 NR1H2 (0.36) KMT2A
SCHEMBL3932150 0.80 ALDH1A1 (0.45) ALDH1A1MAPTLMNAL3MBTL1GAA
SCHEMBL2829002 0.80 ALDH1A1 (0.40) ALDH1A1MAPTHTTTP53LMNA

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-4727943-A1 INHIBITORS OF MET KINASE Celyn Therapeutics, Inc. (US) 2026-04-22 EP disclosed
WO-2024259060-A1 INHIBITORS OF MET KINASE KINNATE BIOPHARMA INC. (US) 2024-12-19 WO disclosed