SCHEMBL9074375

SCHEMBL9074375

COC(=O)c1ccn(C)c1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
CDK1 P06493 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL9021912 0.92 GAA (0.38) GAACDK1KDM4ENPC1ALDH1A1
SCHEMBL9022267 0.91 GAA (0.35) GAACDK1KDM4ENPC1ALDH1A1
SCHEMBL9021875 0.87 GAA (0.36) GAACDK1KDM4ENPC1ALDH1A1
SCHEMBL8530141 0.84 ALDH1A1 (0.40) GAACDK1KDM4ENPC1ALDH1A1
SCHEMBL10755063 0.80 GAA (0.39) GAACDK1KDM4ENPC1ALDH1A1
Metsulfuron-Methyl SCHEMBL29378591 0.80 NPC1 (0.46) GAAKDM4ENPC1ALDH1A1KMT2A
Metsulfuron-Methyl SCHEMBL29433235 0.80 NPC1 (0.46) GAAKDM4ENPC1ALDH1A1KMT2A
Metsulfuron-Methyl SCHEMBL9136999 0.80 NPC1 (0.46) GAAKDM4ENPC1ALDH1A1KMT2A
Metsulfuron-Methyl SCHEMBL21583 0.80 NPC1 (0.46) GAAKDM4ENPC1ALDH1A1KMT2A
Metsulfuron-Methyl SCHEMBL2773537 0.79 NPC1 (0.46) GAAKDM4ENPC1ALDH1A1KMT2A

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-5585328-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-12-17 US disclosed
US-5472933-A Plant growth regulators E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-12-05 US disclosed