SCHEMBL7979967

SCHEMBL7979967

N=C(N)c1ccc2oc(CCCCCCc3cc4cc(C(=N)N)ccc4o3)cc2c1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.85
▸ F10 P00742 2/20 0.85
▸ PRMT1 Q99873 5/20 0.52
▸ ITGB3 P05106 3/20 0.49
▸ ITGA2B P08514 3/20 0.49
▸ TPSAB1 Q15661 2/20 0.49
▸ TPSD1 Q9BZJ3 2/20 0.49
▸ TPSG1 Q9NRR2 2/20 0.49

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
SCHEMBL5032861 1.00 F2 (0.85) F2F10PRMT1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL5031493 0.98 F2 (0.82) F2F10PRMT1ITGB3ITGA2B
SCHEMBL5030493 0.98 F2 (0.88) F2F10PRMT1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL5034833 0.97 F2 (0.85) F2F10PRMT1ITGB3ITGA2B
SCHEMBL5028071 0.95 F2 (0.88) F2F10PRMT1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL5034703 0.94 F2 (0.85) F2F10PRMT1ITGB3ITGA2B
SCHEMBL7978262 0.93 F2 (0.74) F2F10PRMT1ITGB3ITGA2B
SCHEMBL237460 0.92 F2 (1.00) F2F10PRMT1TPSAB1TPSD1
Hydrochloric Acid SCHEMBL5028046 0.90 F2 (0.97) F2F10PRMT1TPSAB1TPSD1
SCHEMBL5031398 0.88 F2 (0.65) F2F10PRMT1ITGB3ITGA2B

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
WO-2001072742-A1 BISAMIDINO COMPOUNDS AS NHE-3 INHIBITORS MERCK PATENT GMBH (US) 2001-10-04 — — WO claimed
WO-2001072742-A1 BISAMIDINO COMPOUNDS AS NHE-3 INHIBITORS MERCK PATENT GMBH (US) 2001-10-04 — — WO disclosed
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