SCHEMBL9844112

SCHEMBL9844112

O=C=NS(=O)(=O)CCc1ccccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
IDO1 P14902 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
RECQL P46063 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
AKR1B1 P15121 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 1/20 0.37
CNR1 P21554 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
MAOB P27338 1/20 0.35
POLQ O75417 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
SCHEMBL18240882 0.76 IDO1 (0.44) DAOIDO1NPSR1ALDH1A1KDM4E
SCHEMBL9843663 0.76 IDO1 (0.49) DAOIDO1NPSR1ALDH1A1KDM4E
SCHEMBL2879865 0.76 IDO1 (0.44) DAOIDO1NPSR1ALDH1A1KDM4E
SCHEMBL9843991 0.73 ALDH1A1 (0.47) ALDH1A1KMT2AHPGD
SCHEMBL29030187 0.73 FOLH1 (0.50) ALDH1A1GAA
SCHEMBL17329111 0.72 IDO1 (0.59) DAOIDO1ALDH1A1KDM4ETDP1
SCHEMBL5540181 0.72 IDO1 (0.47) DAOIDO1NPSR1ALDH1A1KDM4E
SCHEMBL1950928 0.70 IDO1 (0.46) DAOIDO1NPSR1ALDH1A1KDM4E
SCHEMBL28521875 0.70 HDAC1 (0.49) DAOIDO1NPSR1ALDH1A1KDM4E
SCHEMBL31259918 0.69 MEN1 (0.49) ALDH1A1TDP1KMT2ACYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0447645-A1 Aralkylesulfonyl ureas BAYER AG (DE) 1991-09-25 EP disclosed