SCHEMBL21167642

SCHEMBL21167642

CNN(Cc1ccc2ncccc2c1)c1nc(NS(=O)(=O)c2ccc(OC)cc2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
SLC40A1 Q9NP59 3/20 0.42
GLO1 Q04760 1/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.40
CKS1B P61024 1/20 0.39
SKP2 Q13309 1/20 0.39
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
CXCR2 P25025 1/20 0.38
AGTR1 P30556 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL22475911 0.81 MEN1 (0.47) POLBKMT2AMEN1TDP1SLC40A1
SCHEMBL21167654 0.79 PDE10A (0.40) MAPTRAB9ANPC1CLK1CLK2
SCHEMBL21167710 0.74 CLK1 (0.37) ALDH1A1MAPTRAB9ANPC1CLK1
SCHEMBL12489339 0.73 MET (0.50) POLBKMT2AMEN1TDP1SLC40A1
SCHEMBL24591154 0.72 MEN1 (0.46) POLBKMT2AMEN1TDP1SLC40A1
SCHEMBL12487899 0.71 CHRM1 (0.44)
SCHEMBL24591105 0.71 HDAC3 (0.36) SMN1; SMN2ALDH1A1KDM4EMAPTTSHR
SCHEMBL16882503 0.68 BRAF (0.40) ALDH1A1RAB9ANPC1CLK1CLK2
SCHEMBL28050970 0.67 PDE10A (0.55) POLBALDH1A1MAPTHTTRAB9A
SCHEMBL25295878 0.67 RAB9A (0.51) ALDH1A1KDM4EMAPTTSHRNPSR1

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
EP-3511330-A1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS Hutchison Medipharma Limited (CN) 2019-07-17 EP disclosed