SCHEMBL8687708

SCHEMBL8687708

O=C(O)c1ccc(Cl)nc1Cl.O=C(O)c1cnccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ RBP4 P02753 3/20 0.38
▸ MAPT P10636 2/20 0.37
▸ KDM4C Q9H3R0 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KDM6B O15054 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4D Q6B0I6 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ASPH Q12797 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36

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
SCHEMBL379950 0.84 POLB (0.54) NPC1POLBALDH1A1DHODHRBP4
SCHEMBL29369561 0.84 POLB (0.54) NPC1POLBALDH1A1DHODHRBP4
Hydrochloric Acid SCHEMBL3827644 0.82 POLB (0.52) NPC1POLBALDH1A1DHODHRBP4
SCHEMBL29460073 0.82 POLB (0.52) NPC1POLBALDH1A1DHODHRBP4
SCHEMBL56617 0.77 SMN1; SMN2 (0.50) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL29378242 0.77 SMN1; SMN2 (0.50) POLBALDH1A1KDM4EMEN1KMT2A
Water SCHEMBL28081708 0.75 SMN1; SMN2 (0.48) POLBALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL2523036 0.75 SMN1; SMN2 (0.48) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL115907 0.74 KDM4C (0.53) NPC1POLBALDH1A1DHODHMAPT
SCHEMBL3934372 0.74 KDM4C (0.48) NPC1POLBALDH1A1DHODHRBP4

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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