SCHEMBL5229700

SCHEMBL5229700

CC1Cc2c([nH]c3ccccc23)C(Br)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CHRNA7 P36544 1/20 0.46
KDM4E B2RXH2 3/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RB1 P06400 3/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
NR2E1 Q9Y466 1/20 0.41
BRD3 Q15059 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL11076324 0.78 NR2E1 (0.54) MEN1KMT2ACHRNA7KDM4EHSD17B10
SCHEMBL28258680 0.77 CYP2D6 (0.53) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL10743387 0.72 ADRA1D (0.45) MEN1KMT2AKDM4ETSHRHSD17B10
SCHEMBL29486335 0.72 NR2E1 (0.51) MEN1KMT2ACHRNA7KDM4ETSHR
SCHEMBL2515919 0.71 NR2E1 (0.67) MEN1KMT2ACHRNA7HSD17B10RB1
SCHEMBL1877922 0.71 BRD3 (0.67) MEN1KMT2ACHRNA7HSD17B10RB1
SCHEMBL18212309 0.71 KDM4E (0.60) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL18212307 0.71 KDM4E (0.60) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL10743390 0.70 ADRA1D (0.43) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL26179056 0.69 KDM4E (0.61) MEN1KMT2AKDM4ETSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412336-A4 PEPTOID COMPOUNDS UNIV WOLLONGONG (AU) 2007-08-29 EP disclosed
EP-1412336-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2004-04-28 EP disclosed
WO-2003002545-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2003-01-09 WO disclosed