SCHEMBL11237302

SCHEMBL11237302

N#CC(Oc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.42
▸ NPC1 O15118 6/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ PKM P14618 2/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ PPIA P62937 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL11235882 0.85 ATM (0.46) ATMNPC1RAB9APKMKMT2A
SCHEMBL8659039 0.83 NPC1 (0.47) ATMNPC1RAB9APKMKMT2A
SCHEMBL10908649 0.81 NPC1 (0.45) ATMNPC1RAB9APKMKMT2A
SCHEMBL11250296 0.81 KMT2A (0.43) ATMNPC1RAB9APKMKMT2A
SCHEMBL11244616 0.80 ATM (0.42) ATMNPC1RAB9APKMKMT2A
SCHEMBL11252037 0.80 TDP1 (0.57) NPC1RAB9APKMKMT2AMEN1
SCHEMBL11242054 0.80 NPC1 (0.44) ATMNPC1RAB9APKMKMT2A
SCHEMBL10906940 0.80 NPC1 (0.44) ATMNPC1RAB9APKMMAPT
SCHEMBL11237935 0.80 NPC1 (0.48) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL10906894 0.79 NPC1 (0.43) NPC1RAB9A

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-4350706-A MITICIDES, LARVICIDES DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1982-09-21 — — US disclosed
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