SCHEMBL8566575

SCHEMBL8566575

CCCC(=O)c1cncnc1C(F)(F)Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MLYCD O95822 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
HSD17B3 P37058 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 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
SCHEMBL8577610 0.83 PTPN1 (0.34) ITGB1ITGA4
SCHEMBL8558082 0.80 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10TDP1KDM4E
SCHEMBL8566193 0.78 SYK (0.34) KDM4EITGB1ITGA4
SCHEMBL8560086 0.72 CYP11B2 (0.37) ITGB1ITGA4
SCHEMBL15273207 0.71 NFKB1 (0.54) KDM4E
SCHEMBL8565951 0.70 ADORA1 (0.44) ALDH1A1KDM4E
SCHEMBL13531248 0.69 KDM4E (0.49) ALDH1A1TSHRTDP1KDM4E
SCHEMBL13784460 0.69 CYP11B1 (0.30)
SCHEMBL8574991 0.68 NFKB1 (0.40) ALDH1A1TSHRHSD17B10TDP1KDM4E
SCHEMBL6775372 0.68 KDM4E (0.62) ALDH1A1HPGDTSHRKDM4E

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-5716904-A FOR BROARD LEAF WEEDS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0764641-A1 NOVEL 4,5-DISUBSTITUTED PYRIMIDINE DERIVATIVE AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-26 EP disclosed