SCHEMBL10620591

SCHEMBL10620591

N#Cc1cnn(-c2c(F)c(F)c(Br)c(F)c2F)c1N

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 2/20 0.55
KDM4E B2RXH2 2/20 0.55
XDH P47989 2/20 0.43
ABL1 P00519 1/20 0.41
KDR P35968 1/20 0.41
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
CSNK2A1 P68400 1/20 0.32
F2 P00734 1/20 0.32
LPAR1 Q92633 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
SCHEMBL10845178 0.90 KMT2A (0.61) KMT2AMEN1KDM4EXDHABL1
SCHEMBL10616930 0.86 KMT2A (0.56) KMT2AMEN1KDM4EXDHABL1
SCHEMBL10618053 0.84 KMT2A (0.55) KMT2AMEN1KDM4EXDHABL1
SCHEMBL10847653 0.83 KMT2A (0.56) KMT2AMEN1KDM4EXDHABL1
SCHEMBL9453114 0.82 KMT2A (0.52) KMT2AMEN1KDM4EXDHABL1
SCHEMBL10616278 0.81 KMT2A (0.51) KMT2AMEN1KDM4EXDHABL1
SCHEMBL10620625 0.81 KMT2A (0.51) KMT2AMEN1KDM4EXDHABL1
SCHEMBL10616881 0.80 KMT2A (0.54) KMT2AMEN1KDM4EXDHABL1
SCHEMBL17176676 0.80 KMT2A (0.57) KMT2AMEN1KDM4EXDHABL1
SCHEMBL10618033 0.78 KMT2A (0.55) KMT2AMEN1KDM4EXDHABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4496390-A WEED-CONTRTOLLING HERBICIDES MAY & BAKER LIMITED (GB) 1985-01-29 US claimed
EP-0083613-B1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LIMITED (GB) 1988-06-01 EP disclosed
US-4496390-A WEED-CONTRTOLLING HERBICIDES MAY & BAKER LIMITED (GB) 1985-01-29 US disclosed
US-4459150-A 5-Acylamino-4-cyano-1-phenylpyrazole derivatives and use as herbicides MAY & BAKER LIMITED (GB) 1984-07-10 US disclosed