SCHEMBL22214936

SCHEMBL22214936

Clc1cc(Cl)cc(-c2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TXN P10599 1/20 0.67
▸ NFKB1 P19838 4/20 0.56
▸ MAPT P10636 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ APP P05067 2/20 0.48
▸ NR1I2 O75469 1/20 0.46
▸ AHR P35869 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CHRNA7 P36544 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ NPC1 O15118 2/20 0.44

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
SCHEMBL11837292 0.82 NFKB1 (0.78) TXNNFKB1MAPTMEN1KMT2A
SCHEMBL11785940 0.81 NFKB1 (0.78) TXNNFKB1MAPTMEN1KMT2A
SCHEMBL23643491 0.81 NFKB1 (0.57) TXNNFKB1MAPTMEN1KMT2A
SCHEMBL3500246 0.81 NFKB1 (0.69) TXNNFKB1MAPTMEN1KMT2A
SCHEMBL20511159 0.80 TXN (1.00) TXNNFKB1MAPTMEN1KMT2A
SCHEMBL22214935 0.80 TXN (0.69) TXNNFKB1MAPTMEN1KMT2A
SCHEMBL11787207 0.78 MAPT (0.78) TXNNFKB1MAPTMEN1KMT2A
SCHEMBL21914641 0.77 TXN (0.58) TXNNFKB1MAPTMEN1KMT2A
SCHEMBL9390360 0.77 MAPT (0.69) TXNNFKB1MAPTMEN1KMT2A
SCHEMBL20511301 0.76 TXN (0.63) TXNNFKB1MAPTMEN1KMT2A

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
WO-2020146779-A1 mTORC1 INHIBITORS FOR ACTIVATING AUTOPHAGY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-16 — — WO disclosed
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