SCHEMBL9716002

SCHEMBL9716002

O=c1oc2cc(F)ccc2n1CC#CI

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.44
CD74 P04233 1/20 0.44
TNIK Q9UKE5 7/20 0.43
IDO1 P14902 5/20 0.43
POLB P06746 1/20 0.43
MET P08581 1/20 0.42
KMT2A Q03164 1/20 0.39
PTGS2 P35354 1/20 0.39
NPC1 O15118 1/20 0.38
ASAH1 Q13510 1/20 0.37

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
SCHEMBL9716064 0.89 CD74 (0.57) MIFCD74IDO1POLBMET
SCHEMBL9715990 0.83 NPC1 (0.57) MIFKMT2ANPC1ASAH1
SCHEMBL536309 0.83 TDP1 (0.47) MIFIDO1POLBKMT2ANPC1
SCHEMBL9716052 0.83 MIF (0.57) MIFCD74POLBMETKMT2A
SCHEMBL9715963 0.82 KMO (0.46) MIFTNIKPOLBKMT2ANPC1
SCHEMBL9716010 0.80 MET (0.51) MIFCD74TNIKPOLBMET
SCHEMBL536696 0.79 MAPK1 (0.62) MIFIDO1POLB
SCHEMBL9715974 0.79 IDO1 (0.47) MIFIDO1KMT2ANPC1ASAH1
SCHEMBL9715968 0.78 CA12 (0.47) METKMT2A
SCHEMBL3047009 0.77 CD74 (0.49) MIFCD74TNIKIDO1POLB

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