SCHEMBL9716010

SCHEMBL9716010

COc1ccc2c(c1)oc(=O)n2CC#CI

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.51
KMO O15229 1/20 0.46
POLB P06746 1/20 0.46
CD74 P04233 2/20 0.44
MIF P14174 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TNIK Q9UKE5 3/20 0.43
CDYL2 Q8N8U2 3/20 0.43
CDYL Q9Y232 3/20 0.43
CDY1; CDY1B Q9Y6F8 3/20 0.43
CBX7 O95931 2/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL9715940 0.90 KMO (0.58) METKMOPOLBCD74MIF
SCHEMBL9715968 0.87 CA12 (0.47) METLMNATP53MAPTALDH1A1
SCHEMBL9716052 0.82 MIF (0.57) METPOLBCD74MIFLMNA
SCHEMBL9715979 0.81 KMO (0.46) KMOCD74MIFLMNAALDH1A1
SCHEMBL536309 0.80 TDP1 (0.47) KMOPOLBMIFLMNATP53
SCHEMBL9716002 0.80 MIF (0.44) METPOLBCD74MIFTNIK
SCHEMBL9715990 0.80 NPC1 (0.57) MIFLMNATP53ALDH1A1HPGD
SCHEMBL9715984 0.77 ALDH1A1 (0.48) KMOCD74MIFLMNATP53
SCHEMBL8798927 0.77 MET (0.57) METKMOPOLBCD74MIF
SCHEMBL14199043 0.77 POLB (0.52) METKMOPOLBCD74MIF

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-5102898-A Halosubstituted alkyne group; fungicides ROHM AND HAAS COMPANY (US) 1992-04-07 US disclosed