SCHEMBL9312295

SCHEMBL9312295

COC=C(C(=O)OC)c1csc2ccc(CP(=O)(O)O)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.34
MTNR1A P48039 5/20 0.33
CMA1 P23946 2/20 0.32
NFATC1 O95644 1/20 0.32
KLKB1 P03952 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MTNR1B P49286 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 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
SCHEMBL9314703 0.91 TBXAS1 (0.35) TBXAS1MTNR1ACMA1NFATC1KLKB1
SCHEMBL9215423 0.90 PTK2 (0.36) TBXAS1MTNR1ANFATC1KLKB1KDM4E
SCHEMBL9209687 0.85 TBXAS1 (0.36) TBXAS1MTNR1ANFATC1KLKB1KDM4E
SCHEMBL9218481 0.81 PTK2 (0.38) TBXAS1MTNR1ANFATC1KLKB1KDM4E
SCHEMBL9220655 0.80 MAPT (0.41) MEN1MAPTKMT2A
SCHEMBL9215653 0.80 FFAR1 (0.47) MEN1KMT2A
SCHEMBL9220714 0.79 MTNR1A (0.47) MTNR1AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL9211264 0.78 ALDH1A1 (0.34) MTNR1ACMA1KDM4EMEN1CYP1A2
SCHEMBL9219061 0.77 MAPT (0.43) MTNR1AKDM4ECYP1A2MAPTHPGD
SCHEMBL23987343 0.76 NR4A2 (0.40) KDM4EMEN1CYP1A2CYP2D6MAPT

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
US-5376677-A Fungicides CIBA-GEIGY CORPORATION (US) 1994-12-27 US disclosed