SCHEMBL8973767

SCHEMBL8973767

CC(C)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 1.00
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPK1 P28482 2/20 0.59
MAPT P10636 3/20 0.56
TXN P10599 1/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
LMNA P02545 1/20 0.51
NPC1 O15118 2/20 0.50
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
NR1I2 O75469 1/20 0.49

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 0.85 NFKB1 (0.78) NFKB1SMN1; SMN2MAPK1MAPTTXN
SCHEMBL6536659 0.80 NPC1 (0.72) NFKB1SMN1; SMN2MAPK1MAPTTXN
SCHEMBL3500246 0.79 NFKB1 (0.69) NFKB1SMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL21004551 0.79 NFKB1 (0.66) NFKB1SMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL14071639 0.78 NFKB1 (0.63) NFKB1SMN1; SMN2MAPK1MAPTTXN
SCHEMBL29950147 0.76 NFKB1 (0.59) NFKB1SMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL3958499 0.76 NFKB1 (0.59) NFKB1SMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL23643402 0.76 NFKB1 (0.92) NFKB1SMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL1391141 0.76 NFKB1 (0.64) NFKB1SMN1; SMN2MAPK1MAPTTXN
SCHEMBL8972835 0.76 NFKB1 (0.64) NFKB1SMN1; SMN2MAPK1MAPTTXN

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5561131-A INCREASING THE WOOL GROWTH BY ADMINISTERING AN ANTIPROTOZOA AGENT TO SHEEP MALLINCKRODT VETERINARY, INC. (US) 1996-10-01 US claimed
EP-0661976-A1 DEFAUNATION METHOD MALLINCKRODT VETERINARY LIMITED (AU) 1995-07-12 EP claimed
EP-0661976-A4 DEFAUNATION METHOD. MALLINCKRODT VETERINARY LTD (AU) 1994-07-20 EP claimed
WO-1993002680-A1 DEFAUNATION METHOD PITMAN-MOORE AUSTRALIA LIMITED (AU) 1993-02-18 WO claimed