SCHEMBL12697303

SCHEMBL12697303

Bc1cc(CC(N=O)C(C)(C)CC(C)=O)n(S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.34
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 2/20 0.32
ALOX5 P09917 2/20 0.31
ALK Q9UM73 1/20 0.31
LMNA P02545 2/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MDM2 Q00987 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 2/20 0.31

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
SCHEMBL12849436 0.88 CA1 (0.34) RAPGEF4KMT2AMEN1ALDH1A1POLB
SCHEMBL8972077 0.72 CA1 (0.33) RAPGEF4KMT2AMEN1ALDH1A1ALOX5
SCHEMBL4170912 0.66 RAPGEF4 (0.50) RAPGEF4KMT2AMEN1ALDH1A1POLB
SCHEMBL17973534 0.64 CYP2C9 (0.42) KMT2AMEN1POLBALOX5LMNA
SCHEMBL21433771 0.61 ALOX5 (0.32) RAPGEF4KMT2AALDH1A1ALOX5GAA
SCHEMBL1571319 0.60 RAPGEF4 (0.47) RAPGEF4KMT2AMEN1ALDH1A1POLB
SCHEMBL1156787 0.59 ALOX5 (0.40) ALDH1A1ALOX5ALKLMNAL3MBTL1
SCHEMBL18277611 0.58 RAPGEF4 (0.55) RAPGEF4ALDH1A1POLBALKLMNA
SCHEMBL30877436 0.57 RAPGEF4 (0.43) RAPGEF4KMT2AALDH1A1ALKGAA
SCHEMBL27559622 0.56 SLC1A3 (0.41) RAPGEF4POLBALOX5CYP3A4L3MBTL1

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
US-20120244551-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-09-27 US disclosed