SCHEMBL9717776

SCHEMBL9717776

Cn1nc(-c2c(Cl)ccc(C(=O)O)c2Cl)c(Cl)c1OC(F)F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGER4 P35408 2/20 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
SCHEMBL7713804 0.82 ALDH1A1 (0.38) KDM4EMAPTPOLBALDH1A1L3MBTL1
SCHEMBL7829990 0.79 TSHR (0.34) TSHRPOLBALDH1A1L3MBTL1PTGER4
SCHEMBL4067916 0.77 NTRK1 (0.35)
SCHEMBL7707599 0.75 KCNH2 (0.33) KDM4EALDH1A1
SCHEMBL27559404 0.75 PDE5A (0.36) KDM4EALDH1A1
SCHEMBL8723144 0.74 TDP1 (0.38) KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL27559405 0.74 NTRK1 (0.35)
SCHEMBL7707669 0.71 KCNH2 (0.34) ALDH1A1L3MBTL1
SCHEMBL8619941 0.71 SMN1; SMN2 (0.33)
SCHEMBL8183820 0.71 NTRK1 (0.30)

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-5112384-A Plant growth regulators NIHON NOHYAKU CO., LTD. (JP) 1992-05-12 US disclosed
EP-0447055-A1 3-(Substituted phenyl)pyrazole derivatives, a process for producing the same, herbicidal composition containing the same and method of controlling weeds using said composition NIHON NOHYAKU CO., LTD. (JP) 1991-09-18 EP disclosed