SCHEMBL6912975

SCHEMBL6912975

CN=C(N)NOC(=O)c1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
LMNA P02545 1/20 0.56
KDM4E B2RXH2 7/20 0.47
HPGD P15428 6/20 0.47
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 4/20 0.47
MAPT P10636 2/20 0.47
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
CA1 P00915 3/20 0.42
CA9 Q16790 3/20 0.42
HTT P42858 2/20 0.42
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA14 Q9ULX7 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MPO P05164 1/20 0.41
GAA P10253 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL6909900 0.85 TSHR (0.53) TSHRLMNAKDM4EHPGDALDH1A1
SCHEMBL6438478 0.81 LMNA (0.60) TSHRLMNAKDM4EHPGDALDH1A1
SCHEMBL4189992 0.80 LMNA (0.58) TSHRLMNAKDM4EHPGDALDH1A1
SCHEMBL27908807 0.80 TSHR (0.63) TSHRLMNAKDM4EHPGDALDH1A1
SCHEMBL28013496 0.80 LMNA (0.58) TSHRLMNAKDM4EHPGDALDH1A1
SCHEMBL9579136 0.75 LMNA (0.68) TSHRLMNAKDM4EHPGDALDH1A1
Methyl Salicylate SCHEMBL28202612 0.75 TSHR (0.88) TSHRLMNAKDM4EHPGDALDH1A1
SCHEMBL10501149 0.75 LMNA (0.67) TSHRLMNAKDM4EHPGDALDH1A1
SCHEMBL28260858 0.73 ALDH1A1 (0.68) TSHRLMNAKDM4EHPGDALDH1A1
SCHEMBL5815155 0.73 TSHR (0.54) TSHRLMNAKDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839041-B1 CYCLO-OXYGENASE INHIBITOR AND AMIDINE DERIVATIVE SALTS, PREPARATION METHOD THEREFOR, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID SALTS CONSEILS DE RECH SET D APPLIC (FR) 2004-04-14 EP claimed
US-6063807-A Cyclo-oxygenase inhibitor and amidine derivatives salts, preparation method therefor, use thereof as drugs, and pharmaceutical compositions containing said salts SOCIETE DE CONSEILS DE RECHERCHES D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-05-16 US claimed
CN-1187056-C Cyclo-oxygenase inhibitor and amidine derivative salts, preparation method thereof, use thereof as drugs, and pharmaceutical compositions containing said salts SOD CONSEILS RECH APPLIC (FR) 2005-02-02 CN disclosed
US-6063807-A Cyclo-oxygenase inhibitor and amidine derivatives salts, preparation method therefor, use thereof as drugs, and pharmaceutical compositions containing said salts SOCIETE DE CONSEILS DE RECHERCHES D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-05-16 US disclosed
CN-1190890-A Cyclo-oxygenase inhibitor and amidine derivative salts, preparation method thereof, use thereof as drugs, and pharmaceutical compositions containing said salts SOD CONSEILS RECH APPLIC (FR) 1998-08-19 CN disclosed