SCHEMBL11469999

SCHEMBL11469999

CC=CCS(=O)(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 4/20 0.62
MAPT P10636 3/20 0.62
POLB P06746 2/20 0.62
KMT2A Q03164 2/20 0.62
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA12 O43570 3/20 0.56
CA9 Q16790 3/20 0.56
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
TP53 P04637 3/20 0.54
PKM P14618 3/20 0.53
CYP2C19 P33261 1/20 0.51
HPGD P15428 1/20 0.50
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.49

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
SCHEMBL11469998 1.00 KDM4E (0.65) KDM4EALDH1A1MAPTPOLBKMT2A
SCHEMBL11129884 0.83 ALDH1A1 (0.61) KDM4EALDH1A1MAPTPOLBKMT2A
SCHEMBL11463181 0.82 ALDH1A1 (0.59) KDM4EALDH1A1MAPTPOLBKMT2A
SCHEMBL14412438 0.81 POLB (0.72) KDM4EALDH1A1MAPTPOLBKMT2A
SCHEMBL9703278 0.80 CA1 (0.48) KDM4EALDH1A1MAPTPOLBKMT2A
SCHEMBL9703275 0.80 CA1 (0.48) KDM4EALDH1A1MAPTPOLBKMT2A
SCHEMBL11883912 0.79 POLB (0.69) KDM4EALDH1A1MAPTPOLBKMT2A
SCHEMBL1199964 0.79 KDM4E (1.00) KDM4EALDH1A1MAPTPOLBKMT2A
SCHEMBL27834965 0.78 CA2 (0.48) KDM4EALDH1A1MAPTKMT2ACA1
SCHEMBL10752864 0.77 ALDH1A1 (1.00) KDM4EALDH1A1MAPTPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4187226-A 1-(ALKOXYALKYLSULFONYLPHENYL/-3-PHENYLPYRAZOLINES, OPTICAL BRIGHTENERS BASF AKTIENGESELLSCHAFT (DE) 1980-02-05 US disclosed
US-4183851-A OPTICAL BRIGHTENERS BASF AKTIENGESELLSCHAFT (DE) 1980-01-15 US disclosed
US-4164500-A OPTICAL BRIGHTENERS BASF AKTIENGESELLSCHAFT (DE) 1979-08-14 US disclosed
US-4129563-A OPTICAL BRIGHTENERS BASF AKTIENGESELLSCHAFT (DE) 1978-12-12 US disclosed