SCHEMBL9716064

SCHEMBL9716064

O=c1oc2ccc(F)cc2n1CC#CI

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD74 P04233 1/20 0.57
MIF P14174 1/20 0.57
IDO1 P14902 9/20 0.56
KMT2A Q03164 1/20 0.48
CBX7 O95931 6/20 0.47
CDYL Q9Y232 6/20 0.47
CDYL2 Q8N8U2 5/20 0.47
CDY1; CDY1B Q9Y6F8 4/20 0.47
POLB P06746 1/20 0.43
MET P08581 1/20 0.42
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9716002 0.89 MIF (0.44) CD74MIFIDO1KMT2APOLB
SCHEMBL9716028 0.83 MIF (0.57) CD74MIFKMT2APOLBALDH1A1
SCHEMBL9715935 0.83 IDO1 (0.61) IDO1
SCHEMBL9715926 0.83 CBX7 (0.47) CD74MIFIDO1KMT2ACBX7
SCHEMBL9715945 0.82 KMO (0.58) CD74MIFIDO1KMT2AALDH1A1
SCHEMBL9715947 0.81 KMO (0.60) CD74MIFIDO1KMT2ACBX7
SCHEMBL9715940 0.80 KMO (0.58) CD74MIFCBX7CDYLCDYL2
SCHEMBL9715986 0.80 KMO (0.43) CD74MIFIDO1KMT2APOLB
SCHEMBL536696 0.79 MAPK1 (0.62) MIFIDO1POLBALDH1A1
SCHEMBL9715932 0.79 IDO1 (0.59) IDO1CDYLCDYL2CDY1; CDY1BALDH1A1

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