SCHEMBL27748718

SCHEMBL27748718

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
ALDH1A1 P00352 7/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 4/20 0.42
KDM4E B2RXH2 4/20 0.42
POLB P06746 1/20 0.42
CTSK P43235 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 5/20 0.41
HPGD P15428 5/20 0.41
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 2/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HCAR2 Q8TDS4 3/20 0.41
NFKB1 P19838 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL27748496 0.96 KMT2A (0.44) KMT2AALDH1A1HTTMAPTKDM4E
SCHEMBL4650518 0.89 KMT2A (0.50) KMT2AALDH1A1HTTMAPTKDM4E
SCHEMBL4650312 0.85 ALDH1A1 (0.47) KMT2AALDH1A1HTTMAPTKDM4E
SCHEMBL27748495 0.85 KMT2A (0.44) KMT2AALDH1A1HTTMAPTKDM4E
SCHEMBL4650393 0.84 KMT2A (0.46) KMT2AALDH1A1HTTMAPTKDM4E
SCHEMBL4649740 0.84 ALDH1A1 (0.50) KMT2AALDH1A1HTTMAPTKDM4E
Water SCHEMBL4695201 0.83 ALDH1A1 (0.49) KMT2AALDH1A1HTTMAPTKDM4E
SCHEMBL4650471 0.83 ALDH1A1 (0.47) KMT2AALDH1A1HTTMAPTKDM4E
SCHEMBL4651312 0.82 ALDH1A1 (0.50) KMT2AALDH1A1HTTMAPTKDM4E
SCHEMBL4650557 0.81 KDM4E (0.53) KMT2AALDH1A1MAPTKDM4EPOLB

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 1 patent. 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