SCHEMBL7541530

SCHEMBL7541530

CCCCc1cc(O)ccc1C(=O)Nc1cccc(SCC(=O)CC(=S)Nc2ccc(OC)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
PABPC1 P11940 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 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
SCHEMBL6841468 0.77 LMNA (0.46) LMNAPABPC1NPSR1MEN1KMT2A
SCHEMBL7541527 0.75 LMNA (0.44) LMNAPABPC1NPSR1MEN1KMT2A
SCHEMBL7541960 0.68 MEN1 (0.39) LMNAPABPC1NPSR1MEN1KMT2A
SCHEMBL27954440 0.65 MAPT (0.70) LMNAPABPC1MEN1KMT2AKEAP1
SCHEMBL12468814 0.63 AVPR2 (0.53) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL13263619 0.61 MEN1 (0.68) LMNAPABPC1NPSR1MEN1KMT2A
SCHEMBL14339871 0.61 MEN1 (0.67) LMNAMEN1KMT2AKEAP1NFE2L2
SCHEMBL27954473 0.61 MAPT (0.65) LMNAPABPC1NPSR1MEN1KMT2A
SCHEMBL27954472 0.61 MEN1 (0.67) LMNAPABPC1MEN1KMT2ARAB9A
SCHEMBL25900114 0.60 SGMS2 (0.59) MEN1KMT2ARAB9ANPC1KDM4E

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-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO disclosed