SCHEMBL4437748

SCHEMBL4437748

CCC(=O)Nc1ccc(OCc2ccc(Br)cc2Br)cc1C(=O)O.CCC(=O)Nc1ccc(OCc2ccc(Br)cc2Cl)cc1C(=O)O.CCC(=O)Nc1ccc(OCc2ccc(C(F)(F)F)cc2Cl)cc1C(=O)O.CCC(=O)Nc1ccc(OCc2ccc(Cl)cc2Br)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR4A2 P43354 2/20 0.39
MPO P05164 2/20 0.38
AKR1C2 P52895 2/20 0.38
AKR1C1 Q04828 2/20 0.38
POLB P06746 2/20 0.38
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38
HTT P42858 1/20 0.37
SLC26A4 O43511 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL1822953 0.88 MRGPRX4 (0.49) MEN1KMT2AMRGPRX4KDM4EALDH1A1
SCHEMBL1824443 0.86 FFAR1 (0.43) MEN1KMT2AMRGPRX4KDM4EALDH1A1
SCHEMBL1826502 0.85 MEN1 (0.52) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1825548 0.85 KDM4E (0.54) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1823550 0.84 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1825956 0.82 NR4A2 (0.57) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1827458 0.79 KDM4E (0.51) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1826874 0.79 KMT2A (0.49) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4440066 0.78 KDM4E (0.44) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1827618 0.78 SRD5A2 (0.47) MRGPRX4KDM4EALDH1A1

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-2118051-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Chelsea Therapeutics, Inc. (US) 2009-11-18 EP disclosed
WO-2008097180-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF CHELSEA THERAPEUTICS, INC. (US) 2008-08-14 WO disclosed