SCHEMBL30815002

SCHEMBL30815002

COC(=O)c1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA13 Q8N1Q1 1/20 0.61
PRMT1 Q99873 6/20 0.55
MAPT P10636 4/20 0.54
MAPK1 P28482 2/20 0.54
POLB P06746 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TP53 P04637 1/20 0.49
CARM1 Q86X55 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL27226284 1.00 CA1 (0.61) CA1CA2CA7CA13PRMT1
SCHEMBL17815582 0.85 PRMT1 (0.73) CA1CA2CA7CA13PRMT1
SCHEMBL1292932 0.84 CA1 (0.65) CA1CA2CA7CA13PRMT1
SCHEMBL17815580 0.82 CA1 (0.64) CA1CA2CA7CA13PRMT1
SCHEMBL20422454 0.81 EGFR (0.41) CA1CA2CA7CA13MAPT
SCHEMBL18413146 0.81 EGFR (0.41) CA1CA2CA7CA13MAPT
SCHEMBL27227469 0.79 CA1 (0.57) CA1CA2CA7CA13PRMT1
SCHEMBL4927860 0.79 CA1 (0.69) CA1CA2CA7CA13PRMT1
SCHEMBL27226032 0.79 CA1 (0.65) CA1CA2CA7CA13PRMT1
SCHEMBL1254095 0.79 CA1 (0.77) CA1CA2CA7CA13PRMT1

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-4594318-A1 AKT1 MODULATORS Alterome Therapeutics, Inc. (US) 2025-08-06 EP disclosed
WO-2024073371-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed