SCHEMBL8688700

SCHEMBL8688700

Cc1ccc(C(=O)O)c(Cl)n1.O=C(O)c1cnccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ DHODH Q02127 2/20 0.41
▸ EGFR P00533 4/20 0.41
▸ TGFBR1 P36897 1/20 0.39
▸ KDM4C Q9H3R0 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ KDM6B O15054 1/20 0.37
▸ KDM4A O75164 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KDM4D Q6B0I6 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ACLY P53396 1/20 0.37

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
SCHEMBL400674 0.82 EGFR (0.54) KEAP1NFE2L2DHODHEGFRALDH1A1
Hydrochloric Acid SCHEMBL921288 0.80 EGFR (0.53) KEAP1NFE2L2DHODHEGFRALDH1A1
SCHEMBL30316868 0.80 KDM4C (0.53) TGFBR1KDM4CALDH1A1TDP1MEN1
SCHEMBL229353 0.80 KDM4C (0.53) TGFBR1KDM4CALDH1A1TDP1MEN1
Nitrous Acid SCHEMBL27969683 0.77 EGFR (0.50) KEAP1NFE2L2DHODHEGFRALDH1A1
SCHEMBL8687708 0.69 NPC1 (0.48) KEAP1NFE2L2DHODHKDM4CALDH1A1
SCHEMBL2579028 0.68 ALDH1A1 (0.52) TGFBR1KDM4CALDH1A1TDP1SMN1; SMN2
SCHEMBL31481679 0.68 KEAP1 (0.55) KEAP1NFE2L2DHODHALDH1A1TDP1
SCHEMBL921287 0.68 EGFR (0.54) DHODHEGFRALDH1A1SMN1; SMN2KMT2A
SCHEMBL846877 0.68 EGFR (0.50) DHODHEGFRALDH1A1SMN1; SMN2KMT2A

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-5710278-A Herbicidal 1-pyridyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1998-01-20 — — US disclosed
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