SCHEMBL11785913

SCHEMBL11785913

CCCCCCCCCCCCc1cccc(Nc2nc(Cl)nc(Cl)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 3/20 0.55
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ KCNH3 Q9ULD8 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ APP P05067 3/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ AHR P35869 1/20 0.44
▸ LPL P06858 2/20 0.43
▸ LIPG Q9Y5X9 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9296086 0.83 NR1I2 (0.55) NFKB1MEN1MAPTMAPK1KMT2A
SCHEMBL29767685 0.82 LPL (0.56) LPLLIPGS1PR4S1PR1S1PR5
SCHEMBL11871771 0.82 LPL (0.56) LPLLIPGS1PR4S1PR1S1PR5
SCHEMBL9418466 0.82 LPL (0.56) LPLLIPGS1PR4S1PR1S1PR5
SCHEMBL10358432 0.81 RECQL (0.56) KMT2AKCNH3S1PR4S1PR1S1PR5
SCHEMBL24244461 0.78 LPL (0.51) MEN1MAPTKMT2AKCNH3LPL
SCHEMBL20921417 0.78 LPL (0.51) MEN1MAPTKMT2AKCNH3LPL
SCHEMBL10851727 0.77 POLA1 (0.59) NFKB1MEN1MAPTMAPK1KMT2A
SCHEMBL9391146 0.77 POLA1 (0.59) NFKB1MEN1MAPTMAPK1KMT2A
SCHEMBL2121710 0.77 NFKB1 (0.59) NFKB1MEN1MAPTMAPK1KMT2A

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-3931165-A INSECTICIDES, HERBICIDES BARER SOL J 1976-01-06 — — US disclosed
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