SCHEMBL4601967

SCHEMBL4601967

O=C(Nc1c(C(=O)O)ccc(Br)c1Br)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.46
BCAT2 O15382 1/20 0.46
SLC16A3 O15427 1/20 0.46
EPHX2 P34913 1/20 0.44
GPR35 Q9HC97 1/20 0.43
RPA1 P27694 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
GRIK1 P39086 1/20 0.42
ACLY P53396 1/20 0.42
SRD5A2 P31213 1/20 0.42

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
SCHEMBL1307229 0.81 MEN1 (0.50) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL1308635 0.74 AKR1C2 (0.65) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL14075225 0.73 MEN1 (0.66) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL1307704 0.73 GRIK1 (0.65) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL8580659 0.71 RXFP1 (0.41) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL2274511 0.69 ACLY (0.72) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL13485799 0.69 HDAC6 (0.70) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL3645013 0.68 MEN1 (0.74) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL1307493 0.68 DHODH (0.56) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL14075196 0.68 LTC4S (0.68) MEN1KMT2AKDM4EMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940792-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-1 AND/OR PIM-3 Exelixis, Inc. (US) 2008-07-09 EP claimed
WO-2007044724-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-I AND/OR PIM-3 EXELIXIS, INC. (US) 2007-04-19 WO claimed
EP-1940792-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-1 AND/OR PIM-3 Exelixis, Inc. (US) 2008-07-09 EP disclosed
WO-2007044724-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-I AND/OR PIM-3 EXELIXIS, INC. (US) 2007-04-19 WO disclosed