SCHEMBL300124

SCHEMBL300124

Cc1cnc2[nH]cc(-c3c(C=O)cccc3[N+](=O)[O-])c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.39
ERN1 O75460 3/20 0.39
DYRK1A Q13627 2/20 0.38
DYRK1B Q9Y463 1/20 0.38
RIPK1 Q13546 2/20 0.37
KMT2A Q03164 2/20 0.35
ALK Q9UM73 1/20 0.35
MET P08581 1/20 0.35
CLK1 P49759 2/20 0.34
KIT P10721 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL300407 0.86 NTRK1 (0.40) AXLDYRK1ARIPK1KITGSK3B
SCHEMBL15154912 0.74 SMN1; SMN2 (0.44) DYRK1ADYRK1BMETLMNAPOLB
SCHEMBL1713774 0.71 KMT2A (0.51) AXLKMT2AALDH1A1CCNT1CDK9
SCHEMBL300130 0.69 MTNR1A (0.43) AXLDYRK1ADYRK1BRIPK1KIT
SCHEMBL4716579 0.66 POLB (0.57) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL25785930 0.66 AXL (0.71) AXLDYRK1ACDK8TNIKCDK5
SCHEMBL29953854 0.64 KMT2A (0.46) AXLERN1DYRK1ADYRK1BRIPK1
SCHEMBL4355680 0.64 KMT2A (0.46) AXLERN1DYRK1ADYRK1BRIPK1
SCHEMBL29954974 0.64 AXL (0.39) AXLDYRK1ADYRK1BKMT2AMET
SCHEMBL25786059 0.64 AXL (0.41) AXLDYRK1ARIPK1KMT2AMET

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
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed