SCHEMBL5523985

SCHEMBL5523985

Nc1cc(I)c(N)c(I)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.48
▸ CA2 P00918 4/20 0.48
▸ CA9 Q16790 4/20 0.48
▸ CYP3A4 P08684 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.37
▸ TP53 P04637 1/20 0.35
▸ CA3 P07451 1/20 0.34
▸ THRB P10828 1/20 0.30
▸ XDH P47989 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ RECQL P46063 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
SCHEMBL14318817 0.80 CYP3A4 (0.65) CA1CA2CA9CYP3A4ALDH1A1
SCHEMBL11509951 0.79 CA1 (0.48) CA1CA2CA9CYP3A4ALDH1A1
SCHEMBL3739331 0.79 TPMT (0.39) CA1CA2CA9CYP3A4ALDH1A1
SCHEMBL612619 0.79 CA1 (0.48) CA1CA2CA9CA3XDH
SCHEMBL14437646 0.74 CA1 (0.31) CA1CA2CA9
SCHEMBL11129317 0.73 CYP3A4 (0.45) CA1CA2CA9CYP3A4ALDH1A1
SCHEMBL18076660 0.73 CA1 (0.44) CA1CA2CA9CYP3A4ALDH1A1
SCHEMBL22197813 0.73 ALDH1A1 (0.47) CA1CA2CA9CYP3A4ALDH1A1
SCHEMBL24491001 0.73 GAA (0.43) CA1CA2CA9CYP3A4ALDH1A1
SCHEMBL8439198 0.73 TTR (0.58) CA1CA2CA9CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112301443-B Three-stage heat setting method of heterocyclic aramid fiber 中蓝晨光化工有限公司 2022-04-12 — — CN disclosed
CN-112301443-A Three-stage heat setting method of heterocyclic aramid fiber 中蓝晨光化工有限公司 2021-02-02 — — CN disclosed
US-7279543-B2 Anti-bacterial polymer and method for the preparation thereof, anti-bacterial polymer film and method for the preparation thereof, and article having such a film on the surface thereof ULVAC, INC. (JP) 2007-10-09 — — US disclosed
US-20040077819-A1 Anti-bacterial polymer and method for the preparation thereof, anti-bacterial polymer film and method for the preparation thereof, and article having such a film on the surface thereof ULVAC, INC. (JP) 2004-04-22 — — US disclosed
EP-1396514-A1 Anti-bacterial polymer and method for the preparation thereof, anti-bacterial polymer film and method for the preparation thereof, and article having such a film on the surface thereof ULVAC, INC. (JP) 2004-03-10 — — EP disclosed
WO-1989001160-A1 NEW BIFUNCTIONAL PHOTOEXCITABLE REAGENTS, THEIR PREPARATION AND USE, IN PARTICULAR FOR PHOTOAFFINITY LABELLING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 1989-02-09 — — WO disclosed
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