SCHEMBL6669921

SCHEMBL6669921

CC(C)N(Cc1cc[n+](Cc2ccccc2)cc1)C(=O)CC1C(=O)N(Cc2ccccc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CDC25A P30304 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
EP300 Q09472 2/20 0.38
CREBBP Q92793 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
CCKAR P32238 5/20 0.38
CCKBR P32239 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
SCHEMBL6668109 0.86 FNTA (0.49) MEN1KMT2ACDC25ACACNA1GCACNA1H
SCHEMBL1751915 0.76 CDC25A (0.50) MEN1KMT2ACDC25ACACNA1GCACNA1H
SCHEMBL29385257 0.63 MEN1 (0.61) MEN1KMT2ACACNA1GCACNA1HCACNA1I
SCHEMBL10686463 0.63 KMT2A (0.75) MEN1KMT2AKDM4EMAPK1POLB
SCHEMBL6825068 0.62 CACNA1G (0.55) MEN1KMT2ACACNA1GCACNA1HCACNA1I
SCHEMBL19750334 0.62 KMT2A (0.63) MEN1KMT2AEP300CREBBPMAPK1
SCHEMBL30345008 0.62 EP300 (0.48) MEN1KMT2ACDC25ACACNA1GCACNA1H
SCHEMBL25049799 0.62 KMT2A (0.77) MEN1KMT2AKDM4EMAPK1POLB
SCHEMBL13434089 0.62 KMT2A (0.77) MEN1KMT2AKDM4EMAPK1POLB
SCHEMBL1701279 0.61 KMT2A (0.76) MEN1KMT2AKDM4EPOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324985-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2004-10-06 EP claimed
EP-1324985-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2003-07-09 EP claimed
WO-2002028831-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-04-11 WO claimed
EP-1324985-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2004-10-06 EP disclosed
EP-1324985-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2003-07-09 EP disclosed
WO-2002028831-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-04-11 WO disclosed