SCHEMBL8566570

SCHEMBL8566570

CCCC(=O)c1cnc(C(F)F)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL8577613 0.82 PTPN1 (0.33) ALDH1A1KDM4E
SCHEMBL8558079 0.80 POLB (0.35) ALDH1A1HPGDTDP1KDM4E
SCHEMBL12134254 0.80 TSHR (0.41) TSHRALDH1A1HPGDALOX15RECQL
SCHEMBL8566197 0.76 NFKB1 (0.35)
SCHEMBL8560094 0.72 P2RX7 (0.36)
SCHEMBL8565949 0.71 NR4A1 (0.41) ALDH1A1
SCHEMBL16543698 0.69 JUN (0.49) TSHRALDH1A1HPGDALOX15RECQL
SCHEMBL15273207 0.69 NFKB1 (0.54) KDM4E
SCHEMBL8566402 0.66 APLNR (0.33)
SCHEMBL31280183 0.66 NFKB1 (0.42) ALDH1A1KDM4E

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