SCHEMBL22136289

SCHEMBL22136289

Cc1cc(C(N)=O)cc2nc(N)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 2/20 0.42
CHEK2 O96017 6/20 0.38
TYMS P04818 4/20 0.36
ABL1 P00519 1/20 0.36
KMT2A Q03164 1/20 0.35
MAPK14 Q16539 1/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL21789938 0.82 PLAU (0.38) FABP6CHEK2TYMSABL1PLAU
SCHEMBL6856404 0.76 FABP6 (0.47) FABP6TYMSKMT2ACYP1A2PLAU
SCHEMBL6621861 0.75 FABP6 (0.50) FABP6TYMSKMT2ACYP1A2PLAU
SCHEMBL5924316 0.75 FABP6 (0.50) FABP6TYMSKMT2ACYP1A2PLAU
SCHEMBL5681122 0.73 FABP6 (0.47) FABP6TYMSCYP1A2
Carbamic Acid SCHEMBL6323888 0.71 TYMS (0.44) FABP6TYMSABL1KMT2A
SCHEMBL22121440 0.70 FABP6 (0.51) FABP6CHEK2ABL1KMT2AMMP2
SCHEMBL13907803 0.70 TDP1 (0.53) TYMSKMT2APOLB
SCHEMBL14468044 0.70 FABP6 (0.44) FABP6TYMS
SCHEMBL1004660 0.68 PARP1 (0.50) POLB

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-2020132549-A1 STING HETEROCYCLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed