SCHEMBL9550132

SCHEMBL9550132

O=[N+]([O-])c1cccc(C(F)(F)F)c1CI

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ TDP1 Q9NUW8 4/20 0.41
▸ GPR35 Q9HC97 2/20 0.40
▸ P2RX1 P51575 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TSHR P16473 3/20 0.37
▸ ENPP2 Q13822 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ S100A4 P26447 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PARP1 P09874 1/20 0.35

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
SCHEMBL17857084 0.83 ALDH1A1 (0.46) ALDH1A1TDP1GPR35P2RX1CYP1A2
SCHEMBL2873795 0.83 ALDH1A1 (0.43) ALDH1A1TDP1GPR35P2RX1CYP1A2
SCHEMBL7458876 0.83 ALDH1A1 (0.46) ALDH1A1TDP1GPR35P2RX1CYP1A2
SCHEMBL31184606 0.83 ALDH1A1 (0.43) ALDH1A1TDP1GPR35P2RX1CYP1A2
SCHEMBL18816146 0.83 ALDH1A1 (0.47) ALDH1A1TDP1GPR35P2RX1CYP1A2
SCHEMBL14642961 0.82 TDP1 (0.54) ALDH1A1TDP1GPR35TSHRSMN1; SMN2
SCHEMBL8014629 0.81 ALDH1A1 (0.47) ALDH1A1TDP1GPR35CYP1A2CYP3A4
SCHEMBL2882412 0.78 ALDH1A1 (0.40) ALDH1A1TDP1GPR35P2RX1CYP1A2
SCHEMBL29686463 0.77 ALDH1A1 (0.41) ALDH1A1TDP1GPR35P2RX1CYP1A2
SCHEMBL28159719 0.77 LOXL2 (0.44) ALDH1A1CYP1A2CYP2C19TSHRSMN1; 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
US-5200544-A Acid generator, acid sensitive polymer; photosensitivity AT&T BELL LABORATORIES (US) 1993-04-06 — — US disclosed
US-5135838-A Resin sensitive to UV radiation and a nitrobenzyl compound that generates an acid AT&T BELL LABORATORIES (US) 1992-08-04 — — US disclosed
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