SCHEMBL9728989

SCHEMBL9728989

Cn1c(C(F)(F)F)cc(=O)n(-c2cc3c(cc2F)OCC(=O)N3Cc2ccccn2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.47
SCN9A Q15858 6/20 0.42
ALDH1A1 P00352 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALOX15 P16050 1/20 0.40
CHRM1 P11229 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
KMO O15229 1/20 0.34

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
SCHEMBL9686559 0.81 BRD4 (0.49) BRD4SCN9AALDH1A1HDAC1HDAC8
SCHEMBL9842340 0.80 CHRM1 (0.38) BRD4ALDH1A1CHRM1KDM4EMAPT
SCHEMBL39263 0.79 CHRM1 (0.35) BRD4ALDH1A1CHRM1MAPT
SCHEMBL12188290 0.79 HTR1A (0.37) CHRM1
SCHEMBL9687801 0.78 BRD4 (0.57) BRD4SCN9AALDH1A1ALOX15CHRM1
SCHEMBL9685790 0.76 BRD4 (0.53) BRD4SCN9AALDH1A1HDAC1HDAC8
SCHEMBL7965666 0.75 MAPT (0.37) BRD4SCN9AALDH1A1HDAC1HDAC6
SCHEMBL7965670 0.75 MAPT (0.37) BRD4SCN9AALDH1A1HDAC1HDAC6
SCHEMBL9685904 0.75 BRD4 (0.49) BRD4SCN9AALDH1A1ALOX15MAPT
SCHEMBL9685812 0.73 BRD4 (0.51) BRD4SCN9AALDH1A1HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084084-A Uracil and thiouracil derivatives NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-01-28 US disclosed
EP-0408382-A2 Uracil derivatives and herbicides containing the same as active ingredient NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1991-01-16 EP disclosed