SCHEMBL22120216

SCHEMBL22120216

N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cn2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 3/20 0.58
▸ F2 P00734 2/20 0.58
▸ ST14 Q9Y5Y6 2/20 0.58
▸ PLAU P00749 1/20 0.58
▸ PRMT5 O14744 1/20 0.58
▸ SLC22A2 O15244 1/20 0.58
▸ SLC22A1 O15245 1/20 0.58
▸ TMPRSS2 O15393 1/20 0.58
▸ PTP4A3 O75365 1/20 0.58
▸ SLC22A3 O75751 1/20 0.58
▸ F10 P00742 1/20 0.58
▸ PLG P00747 1/20 0.58
▸ S100B P04271 1/20 0.58
▸ CHRM2 P08172 1/20 0.58
▸ CHRM4 P08173 1/20 0.58
▸ CHRM5 P08912 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ AOC1 P19801 1/20 0.58
▸ MAOA P21397 1/20 0.58

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
SCHEMBL29633125 0.92 PRMT1 (0.73) PRMT1F2ST14PLAUPRMT5
SCHEMBL22120014 0.92 PRMT1 (0.73) PRMT1F2ST14PLAUPRMT5
SCHEMBL6949740 0.92 PRMT1 (0.50) PRMT1F2ST14PLAUPRMT5
Hydrochloric Acid SCHEMBL7083326 0.91 PRSS1 (0.51) PRMT1F2ST14PLAUPRMT5
Hydrochloric Acid SCHEMBL6949761 0.91 PRSS1 (0.51) PRMT1F2ST14PLAUPRMT5
SCHEMBL12461767 0.90 PRSS1 (0.47) PRMT1F2ST14PLAUPRMT5
SCHEMBL19486286 0.88 PRSS1 (0.50) PRMT1F2ST14PLAUPRMT5
SCHEMBL15149527 0.88 PRSS1 (0.46) PRMT1F2ST14PLAUPRMT5
SCHEMBL15142491 0.86 PRSS1 (0.49) PRMT1F2ST14PLAUPRMT5
SCHEMBL19486284 0.86 MAPT (0.46) PRMT1F2ST14PLAUPRMT5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023077235-A1 PENTAMIDINE ANALOGS MCMASTER UNIVERSITY (CA) 2023-05-11 — — WO disclosed
EP-3897600-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR Auransa Inc. (US) 2021-10-27 — — EP disclosed
WO-2020132636-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR AURANSA INC. (US) 2020-06-25 — — WO disclosed
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