SCHEMBL24934129

SCHEMBL24934129

N=Cc1cc(NC(=N)OC(=N)c2cccc(N)c2)ccc1NPI

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.32
▸ PLG P00747 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ PTGS1 P23219 1/20 0.30

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
SCHEMBL24933424 0.83 HDAC3 (0.37) F2PLGPRSS1PRSS2PRSS3
SCHEMBL24933423 0.77 NPY2R (0.31) —
SCHEMBL24934065 0.73 HDAC3 (0.34) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22890314 0.71 — —
SCHEMBL24934103 0.69 NPC1 (0.33) F2PLGMAPTALDH1A1SMN1; SMN2
SCHEMBL24934276 0.65 ABCB11 (0.35) —
SCHEMBL24934219 0.63 PKM (0.42) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL24934262 0.62 DDX3X (0.44) F2PLGPRSS1PRSS2PRSS3
SCHEMBL24934270 0.62 TDP1 (0.32) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL24934063 0.62 GRM4 (0.37) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 — — WO disclosed
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