SCHEMBL9512632

SCHEMBL9512632

CC(=O)C1=[N+]([O-])N(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ CA1 P00915 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ USP2 O75604 2/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ POLB P06746 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ MYC P01106 2/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ MTHFD2 P13995 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDE5A O76074 1/20 0.36

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
SCHEMBL9512628 0.66 ALDH1A1 (0.43) CA12CA9CA1ALDH1A1USP2
SCHEMBL23610369 0.64 KDM4E (0.71) CA12CA9CA1ALDH1A1USP2
SCHEMBL17737082 0.64 KDM4E (0.71) CA12CA9CA1ALDH1A1USP2
SCHEMBL458085 0.63 CA12 (1.00) CA12CA9CA1ALDH1A1KMT2A
SCHEMBL211540 0.62 TSHR (0.71) CA12CA9CA1ALDH1A1KMT2A
Terephthalic Acid SCHEMBL123278 0.62 TSHR (0.80) CA12CA9CA1ALDH1A1TDP1
Terephthalic Acid SCHEMBL8209798 0.62 TSHR (0.80) CA12CA9CA1ALDH1A1TDP1
Terephthalic Acid SCHEMBL28358071 0.62 TSHR (0.80) CA12CA9CA1ALDH1A1TDP1
Terephthalic Acid SCHEMBL234183 0.62 TSHR (0.92) CA12CA9CA1ALDH1A1CA2
SCHEMBL14802425 0.62 GFER (0.67) ALDH1A1USP2KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323729-B1 SOLID PARTICLE DISPERSIONS OF DYES USEFUL IN PHOTOGRAPHIC ELEMENTS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1993-09-29 — — EP disclosed
EP-0294461-B1 SOLID PARTICLE DISPERSION FILTER DYES FOR PHOTOGRAPHIC COMPOSITIONS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1991-10-23 — — EP disclosed
US-4948718-A FILTER DYES EASTMAN KODAK COMPANY (US) 1990-08-14 — — US disclosed
US-4900652-A FILM SUPPORT CAPABLE OF TRANSMITTING RADIATION. EASTMAN KODAK COMPANY (US) 1990-02-13 — — US disclosed
EP-0323729-A2 Solid particle dispersions of dyes useful in photographic elements EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-07-12 — — EP disclosed
EP-0294461-A1 SOLID PARTICLE DISPERSION FILTER DYES FOR PHOTOGRAPHIC COMPOSITIONS. EASTMAN KODAK CO (US) 1988-12-14 — — EP disclosed
WO-1988004794-A1 SOLID PARTICLE DISPERSION FILTER DYES FOR PHOTOGRAPHIC COMPOSITIONS EASTMAN KODAK COMPANY (US) 1988-06-30 — — WO disclosed
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