SCHEMBL4650393

SCHEMBL4650393

CC(=O)c1cc(Br)c(Cl)cc1NCC(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 8/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 5/20 0.42
HPGD P15428 4/20 0.42
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HCAR2 Q8TDS4 3/20 0.42
NFKB1 P19838 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 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
SCHEMBL4650518 0.91 KMT2A (0.50) KMT2AKDM4EPOLBALDH1A1HTT
SCHEMBL4650312 0.87 ALDH1A1 (0.47) KMT2AKDM4EPOLBALDH1A1HTT
SCHEMBL4649740 0.86 ALDH1A1 (0.50) KMT2AKDM4EPOLBALDH1A1HTT
Water SCHEMBL4695201 0.85 ALDH1A1 (0.49) KMT2AKDM4EPOLBALDH1A1HTT
SCHEMBL4650471 0.85 ALDH1A1 (0.47) KMT2AKDM4EPOLBALDH1A1HTT
SCHEMBL27748718 0.84 KMT2A (0.44) KMT2AKDM4EPOLBALDH1A1HTT
SCHEMBL4651312 0.84 ALDH1A1 (0.50) KMT2AKDM4EPOLBALDH1A1HTT
SCHEMBL4650402 0.82 POLB (0.52) KMT2AKDM4EPOLBALDH1A1HTT
SCHEMBL4650557 0.82 KDM4E (0.53) KMT2AKDM4EPOLBALDH1A1RAB9A
SCHEMBL27748496 0.82 KMT2A (0.44) KMT2AKDM4EPOLBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101336236-A Anthranilic acid derivatives useful in treating infection with hepatitis c virus WYETH CORP (US) 2008-12-31 CN claimed
EP-1966181-A2 ANTHRANILIC ACID DERIVATIVES USEFUL IN TREATING INFECTION WITH HEPATITIS C VIRUS Wyeth (US) 2008-09-10 EP claimed
WO-2008051244-A2 ANTHRANILIC ACID DERIVATIVES USEFUL IN TREATING INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2008-05-02 WO claimed
EP-1966181-A2 ANTHRANILIC ACID DERIVATIVES USEFUL IN TREATING INFECTION WITH HEPATITIS C VIRUS Wyeth (US) 2008-09-10 EP disclosed
WO-2008051244-A2 ANTHRANILIC ACID DERIVATIVES USEFUL IN TREATING INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2008-05-02 WO disclosed