SCHEMBL9785877

SCHEMBL9785877

O=C(O)c1ccc(C(=O)NNc2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.81
ALDH1A1 P00352 7/20 0.67
GAA P10253 5/20 0.67
KDM4E B2RXH2 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
FFAR1 O14842 1/20 0.58
MAPT P10636 4/20 0.57
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57
SRD5A2 P31213 1/20 0.54
CYP3A4 P08684 1/20 0.53
ALOX5 P09917 1/20 0.53
TSHR P16473 1/20 0.53
POLB P06746 1/20 0.53
GFER P55789 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL425101 0.90 PTGS2 (1.00) PTGS2ALDH1A1GAAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL9017504 0.88 PTGS2 (0.96) PTGS2ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL4897180 0.85 PTGS2 (0.75) PTGS2ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL9829474 0.85 PTGS2 (0.75) PTGS2ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL7040726 0.85 PTGS2 (1.00) PTGS2ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL11783307 0.85 PTGS2 (0.86) PTGS2ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL4748877 0.82 PTGS2 (0.70) PTGS2ALDH1A1GAAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL28137918 0.82 PTGS2 (0.70) PTGS2ALDH1A1GAAKDM4ESMN1; SMN2
Bromide SCHEMBL20984745 0.82 PTGS2 (0.70) PTGS2ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL27794659 0.82 PTGS2 (0.70) PTGS2ALDH1A1GAAKDM4ESMN1; 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-5004669-A Printing Plates, Antistatic Agents KONICA CORPORATION (JP) 1991-04-02 US disclosed
EP-0367572-A1 Light-sensitive silver halide photographic material KONICA CORPORATION (JP) 1990-05-09 EP disclosed