SCHEMBL7939084

SCHEMBL7939084

C=C(C)COc1cc(-n2nc3c(c2Cl)CCCC3)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPOX P50336 15/20 0.37
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL9000397 0.90 PPOX (0.41) PPOX
SCHEMBL10934193 0.86 PPOX (0.39) PPOX
SCHEMBL10934198 0.86 PPOX (0.39) PPOX
SCHEMBL10871372 0.85 PPOX (0.40) PPOXALDH1A1
SCHEMBL8431862 0.84 PPOX (0.40) PPOXNR1H4
SCHEMBL8430652 0.83 PPOX (0.41) PPOXNR1H4
SCHEMBL11036738 0.82 PPOX (0.46) PPOXALDH1A1TSHRNPSR1
SCHEMBL8433559 0.82 PPOX (0.37) PPOX
SCHEMBL8430699 0.82 PPOX (0.40) PPOX
SCHEMBL10931490 0.81 PPOX (0.40) PPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6239076-B1 SUCH AS 3-CHLORO-2-(4-CHLORO-5-(3-PHENYL-5-METHYLISOXAZOLIN-5-YL)METHOXY-2 -FLUOROPHENYL)-4,5,6,7-TETRAHYDRO-2H-INDAZOLE; HERBICIDES FOR CONTROLLING RICE PADDY WEEDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-05-29 US disclosed