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SCHEMBL6863468

SCHEMBL6863468

NC(=O)c1cc(N)cc(C(=O)N(CC(O)CO)CC(O)CO)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NTRK2 Q16620 1/20 0.31

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
Hydrochloric Acid SCHEMBL31143760 0.98 TSHR (0.30) TSHRCYP3A4SMN1; SMN2NTRK2
SCHEMBL16626251 0.83 SMN1; SMN2 (0.55) TSHRCYP3A4SMN1; SMN2
SCHEMBL30560902 0.82 PARP1 (0.42) TSHRCYP3A4
SCHEMBL1249570 0.82 PARP1 (0.42) TSHRCYP3A4
SCHEMBL27919672 0.76 SMN1; SMN2 (0.50) TSHRCYP3A4SMN1; SMN2
SCHEMBL7656151 0.74 CASP3 (0.34) NTRK2
SCHEMBL29997833 0.73 TSHR (0.31) TSHR
SCHEMBL27919462 0.72 PARP1 (0.33) —
SCHEMBL1807992 0.72 KDM4E (0.46) TSHRCYP3A4SMN1; SMN2
Iodide SCHEMBL9844728 0.70 KDM4E (0.45) TSHRCYP3A4SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131280-B1 PREPARATION OF 5-AMINO-ISOPHTHALAMIDES AMERSHAM HEALTH AS (NO) 2004-08-11 — — EP claimed
EP-0484328-A1 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID AND 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS. MALLINCKRODT INC (US) 1992-05-13 — — EP disclosed