SCHEMBL9835520

SCHEMBL9835520

COc1ccc(N(C(C)=O)C(C)=O)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
TPMT P51580 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MYC P01106 1/20 0.46
TSHR P16473 2/20 0.45
CFD P00746 2/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
APP P05067 1/20 0.43

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
SCHEMBL18138756 0.83 TUBB1 (0.51) LCKFYNALDH1A1KDM4EHPGD
SCHEMBL25969195 0.79 GAA (0.47) ALDH1A1CA12CA1CA2CA4
SCHEMBL91954 0.74 CSNK2A1 (0.59) LCKFYNALDH1A1KDM4EHPGD
SCHEMBL30100430 0.74 CSNK2A1 (0.59) LCKFYNALDH1A1KDM4EHPGD
SCHEMBL2769498 0.74 CFD (0.67) LCKFYNALDH1A1KDM4EHPGD
SCHEMBL26104957 0.74 SLC16A3 (0.54) ALDH1A1KDM4EHPGDMAPTCYP2C19
SCHEMBL30394165 0.74 SLC16A3 (0.54) ALDH1A1KDM4EHPGDMAPTCYP2C19
SCHEMBL4600656 0.74 CFD (0.61) LCKFYNALDH1A1KDM4EHPGD
SCHEMBL2087813 0.74 AKR1C3 (0.64) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL29956237 0.74 AKR1C3 (0.64) ALDH1A1KDM4EHPGDCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0190524-B1 Industrial synthesis of N-[(1'-allyl-2'-pyrrolidinyl)methyl]-2-methoxy-4,5-azimido benzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1991-03-06 EP claimed
US-4804765-A Process for synthesizing N-[(1'-allyl-2'pyrrolidinyl) methyl]2-methoxy-4,5-azimidobenzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-D-FRANCE (FR) 1989-02-14 US claimed
US-4804765-A Process for synthesizing N-[(1'-allyl-2'pyrrolidinyl) methyl]2-methoxy-4,5-azimidobenzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-D-FRANCE (FR) 1989-02-14 US disclosed
US-4804765-A Process for synthesizing N-[(1'-allyl-2'pyrrolidinyl) methyl]2-methoxy-4,5-azimidobenzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-D-FRANCE (FR) 1989-02-14 US disclosed