SCHEMBL1848012

SCHEMBL1848012

Cc1ccc(CC(C)(N)C(=O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.50
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
EGFR P00533 1/20 0.46
CYP1A2 P05177 1/20 0.46
FYN P06241 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
APEX1 P27695 1/20 0.46
ADRA1A P35348 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL3801388 0.77 PRMT6 (0.48) KMT2AALDH1A1KDM4EMEN1GAA
SCHEMBL9917335 0.74 PRMT6 (0.50) KMT2AALDH1A1KDM4EMEN1GAA
SCHEMBL6533651 0.71 BLM (0.50) BLMKMT2AALDH1A1POLBTDP1
SCHEMBL1260565 0.71 KMT2A (0.50) BLMKMT2AALDH1A1POLBTDP1
SCHEMBL14547348 0.70 BLM (0.73) BLMKMT2AALDH1A1POLBTDP1
SCHEMBL15218062 0.70 BLM (0.73) BLMKMT2AALDH1A1POLBTDP1
SCHEMBL19169552 0.70 RIPK1 (0.47) KMT2AALDH1A1POLBTDP1KDM4E
SCHEMBL122295 0.69 BLM (0.72) BLMKMT2AALDH1A1POLBTDP1
SCHEMBL122296 0.69 BLM (0.72) BLMKMT2AALDH1A1POLBTDP1
SCHEMBL19176979 0.69 RIPK1 (0.46) KMT2AALDH1A1KDM4EMEN1GAA

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-2320738-A1 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TransTech Pharma, Inc. (US) 2011-05-18 EP disclosed