SCHEMBL8019690

SCHEMBL8019690

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cn2cnc3cc(C#N)ccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.57
F2 P00734 4/20 0.57
PRSS1 P07477 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
MGLL Q99685 1/20 0.42
ALOX5AP P20292 5/20 0.41
FEN1 P39748 5/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL8031102 0.93 F10 (0.57) F10F2PRSS1SMN1; SMN2HTT
SCHEMBL7361733 0.79 MEN1 (0.44) F10F2PRSS1ALOX5APFEN1
SCHEMBL7361732 0.75 F10 (0.46) F10F2PRSS1SMN1; SMN2HTT
SCHEMBL7480433 0.73 LMNA (0.44) F10PRSS1SMN1; SMN2KMT2ALMNA
SCHEMBL8019749 0.73 F10 (1.00) F10F2PRSS1
SCHEMBL6165511 0.73 F10 (0.46) F10PRSS1ALOX5APFEN1NAMPT
SCHEMBL6166616 0.71 F10 (0.52) F10PRSS1HTTALOX5APFEN1
SCHEMBL7084412 0.71 F10 (0.45) F10ALOX5APFEN1KMT2ANAMPT
SCHEMBL7061589 0.71 ALDH1A1 (0.54) SMN1; SMN2HTTALOX5APFEN1KMT2A
SCHEMBL7057459 0.70 RORC (0.44) F10ALOX5APFEN1LMNANAMPT

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-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed