SCHEMBL20511196

SCHEMBL20511196

CCc1ccc(-c2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TXN P10599 1/20 0.63
▸ NFKB1 P19838 4/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ MAPT P10636 4/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CACNA1B Q00975 1/20 0.51
▸ APBA1 Q02410 1/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ AHR P35869 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL17268197 0.95 NFKB1 (0.63) TXNNFKB1KDM4ENPC1RAB9A
SCHEMBL11837292 0.80 NFKB1 (0.78) TXNNFKB1KDM4ENPC1RAB9A
SCHEMBL11785940 0.79 NFKB1 (0.78) TXNNFKB1KDM4ENPC1RAB9A
SCHEMBL10851727 0.79 POLA1 (0.59) TXNNFKB1KDM4EMAPTMEN1
SCHEMBL13769425 0.78 UCHL1 (0.55) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL20511159 0.77 TXN (1.00) TXNNFKB1KDM4ENPC1RAB9A
SCHEMBL22214935 0.77 TXN (0.69) TXNNFKB1KDM4ENPC1MAPT
SCHEMBL9296086 0.76 NR1I2 (0.55) TXNNFKB1KDM4EMAPTMEN1
SCHEMBL22214936 0.76 TXN (0.67) TXNNFKB1KDM4ENPC1RAB9A
SCHEMBL9391146 0.75 POLA1 (0.59) NFKB1KDM4ENPC1RAB9AMAPT

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 2 patents. 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
WO-2018175958-A1 THIOREDOXIN MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-09-27 — — WO disclosed
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