SCHEMBL22873283

SCHEMBL22873283

CNC(=O)NC1c2ccccc2-c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
PPIA P62937 11/20 0.55
MAPT P10636 1/20 0.53
GAA P10253 1/20 0.51
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL29273709 0.88 MAPT (0.65) KMT2AMEN1LMNAPPIAMAPT
SCHEMBL16593178 0.81 KMT2A (0.56) KMT2AMEN1LMNAPPIAMAPT
SCHEMBL13480594 0.80 PPIA (0.61) KMT2AMEN1LMNAPPIAMAPT
SCHEMBL18007197 0.80 KMT2A (0.56) KMT2AMEN1LMNAPPIAMAPT
SCHEMBL144326 0.80 KMT2A (0.65) KMT2AMEN1LMNAPPIAMAPT
SCHEMBL13969504 0.78 KMT2A (0.53) KMT2AMEN1LMNAPPIAMAPT
SCHEMBL16592358 0.78 CA12 (0.63) KMT2AMEN1PPIAMAPTTSHR
SCHEMBL1007576 0.78 MAPT (0.62) KMT2AMEN1LMNAPPIAMAPT
SCHEMBL1567605 0.78 KMT2A (0.61) KMT2AMEN1LMNAPPIAMAPT
SCHEMBL27817518 0.78 NTRK1 (0.59) KMT2AMEN1LMNAPPIA

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-2021004391-A1 C-MYC PROTEIN INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州开拓药业股份有限公司 2021-01-14 WO disclosed