SCHEMBL29664409

SCHEMBL29664409

NS(=O)(=O)c1cccc(NC(=O)c2cnc3c(c2)CCC3)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.53
CDK1 P06493 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNA2 P20248 1/20 0.53
CCNE1 P24864 1/20 0.53
CDK2 P24941 1/20 0.53
CCND3 P30281 1/20 0.53
FLT3 P36888 1/20 0.53
CDK9 P50750 1/20 0.53
CDK6 Q00534 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
CA1 P00915 9/20 0.52
CA2 P00918 9/20 0.52
POLB P06746 1/20 0.51
CASP6 P55212 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
RXFP1 Q9HBX9 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
SCHEMBL29618331 0.89 MEN1 (0.52) KMT2AMEN1MAPT
SCHEMBL29618334 0.83 PARP1 (0.57) POLBKMT2AMEN1MAPT
SCHEMBL29618325 0.82 KMT2A (0.71) CA1CA2POLBCASP6CTDSP1
SCHEMBL29618358 0.82 CA1 (0.47) CCNT1CDK1CCNB1CCNA2CCNE1
SCHEMBL29618349 0.81 CA1 (0.51) CA1CA2POLBCASP6CTDSP1
SCHEMBL29618368 0.80 MEN1 (0.46) KMT2AMEN1RXFP1SCN10A
SCHEMBL29618336 0.80 CA1 (0.52) CA1CA2POLBCASP6CTDSP1
SCHEMBL29618315 0.79 CA1 (0.51) CA1CA2POLBCASP6CTDSP1
SCHEMBL29618384 0.79 CA1 (0.48) CA1CA2POLBCASP6CTDSP1
SCHEMBL29618400 0.79 SMN1; SMN2 (0.48) POLBKMT2AMEN1MAPT

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-2022121805-A1 FUSED RING COMPOUND AS NAV1.8 INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2022-06-16 WO disclosed