Sugi Predict

Sugi Predict / Compounds / SCHEMBL6775684

SCHEMBL6775684

SCHEMBL6775684

COC(=O)C(CC(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1-c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 5/20 0.47
▸ PGGT1B P53609 4/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ FNTB P49356 3/20 0.47
▸ TAS1R3 Q7RTX0 9/20 0.47
▸ TAS1R1 Q7RTX1 9/20 0.47
▸ BCL2L1 Q07817 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6775685 1.00 FNTA (0.47) FNTAPGGT1BTDP1FNTBTAS1R3
SCHEMBL8365558 0.89 FNTA (0.59) FNTAPGGT1BTDP1FNTBTAS1R3
SCHEMBL6775666 0.85 FNTA (0.59) FNTAFNTB
SCHEMBL6775669 0.85 FNTA (0.59) FNTAFNTB
Hydrochloric Acid SCHEMBL7612564 0.85 FNTA (0.58) FNTAFNTB
Hydrochloric Acid SCHEMBL7612566 0.85 FNTA (0.58) FNTAFNTB
Hydrochloric Acid SCHEMBL7143086 0.78 FNTA (0.54) FNTAFNTB
SCHEMBL6777750 0.78 TAS1R3 (0.50) TAS1R3TAS1R1BCL2L1
SCHEMBL6777746 0.78 TAS1R3 (0.50) TAS1R3TAS1R1BCL2L1
SCHEMBL6775231 0.77 RORC (0.46) SMN1; 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
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 — — US disclosed