SCHEMBL8960030

SCHEMBL8960030

O=c1c(Cl)c(C(F)(F)F)ncn1-c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
KDM1A O60341 1/20 0.38
FGFR1 P11362 1/20 0.38
PHOSPHO1 Q8TCT1 1/20 0.38
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.36
TNF P01375 1/20 0.36
HSPA1A P0DMV8 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOD1 Q9Y239 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL8960285 0.81 ESR1 (0.38) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL8960124 0.81 ESR2 (0.54) ESR1ESR2HCAR1
SCHEMBL8960163 0.80 HCAR1 (0.37) ALDH1A1KMT2AMEN1L3MBTL1HTT
SCHEMBL9340421 0.72 CYP3A4 (0.52) ALDH1A1LMNAMAPK1MAPTHPGD
SCHEMBL9598871 0.69 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAPHOSPHO1MAPT
SCHEMBL20085597 0.69 ALDH1A1 (0.47) ALDH1A1KMT2AHTTLMNAMAPT
SCHEMBL8960266 0.68 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1HTTLMNA
SCHEMBL9339513 0.68 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1MAPTHPGD
SCHEMBL14887377 0.68 PTGS2 (0.47) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL31463575 0.67 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532208-A HERBICIDES SUMITOMO CHEMICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5366955-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-11-22 US disclosed
EP-0568041-A1 Pyrimidone derivatives and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-03 EP disclosed