SCHEMBL8134249

SCHEMBL8134249

Cc1nc2ccnc(Cc3ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O)cc3)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2C9 P11712 1/20 0.48
MMP2 P08253 6/20 0.47
MMP9 P14780 4/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP13 P45452 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
AIMP2 Q13155 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ADAMTS4 O75173 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
SCHEMBL8119927 0.91 MEN1 (0.38) MEN1KMT2ACYP2C9MMP2MMP9
SCHEMBL8120021 0.90 BACE1 (0.41) MEN1KMT2ACYP2C9MMP2MMP9
SCHEMBL8129240 0.89 KMT2A (0.37) MEN1KMT2ACYP2C9MMP2MMP9
SCHEMBL8121322 0.88 S1PR4 (0.41) MEN1KMT2ACYP2C9MMP2MMP9
SCHEMBL8121259 0.88 KMT2A (0.36) MEN1KMT2ACYP2C9MMP2MMP9
SCHEMBL8120585 0.87 KDM4E (0.36) MEN1KMT2ACYP2C9MMP2MMP9
SCHEMBL8130937 0.86 KDM4E (0.48) KMT2AMMP2MMP9MMP1MMP3
SCHEMBL8126519 0.86 AGTR2 (0.39) MEN1KMT2ACYP2C9MMP2MMP9
SCHEMBL8119786 0.86 KMT2A (0.35) MEN1KMT2ACYP2C9MMP2MMP9
SCHEMBL8130474 0.86 PTAFR (0.36) MEN1KMT2ACYP2C9MMP2MMP9

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
EP-0543858-B1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARM (GB) 2000-12-20 EP claimed