SCHEMBL7721795

SCHEMBL7721795

CCC(=O)Oc1ccc(S(=O)(=O)C(=[N+]=[N-])C(=O)C2CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
KMT2A Q03164 5/20 0.38
ESR1 P03372 2/20 0.38
HIF1A Q16665 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
ENPP3 O14638 3/20 0.37
ENPP1 P22413 3/20 0.37
ENPP2 Q13822 3/20 0.37
ALDH1A1 P00352 4/20 0.37
CAMK2A Q9UQM7 2/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
ELANE P08246 1/20 0.36
CAMK2G Q13555 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL7722429 0.87 POLB (0.46) GLAKMT2AESR1SMN1; SMN2POLB
SCHEMBL7695448 0.85 ENPP3 (0.54) GLAKMT2APOLBENPP3ENPP1
SCHEMBL7724555 0.84 ELANE (0.39) GLAKMT2ASMN1; SMN2POLBENPP3
SCHEMBL7696102 0.82 ENPP3 (0.52) POLBENPP3ENPP1ENPP2MMP1
SCHEMBL6735766 0.81 S1PR5 (0.44) RECQLMMP1TSHR
SCHEMBL7693580 0.81 ENPP3 (0.49) KMT2APOLBENPP3ENPP1ENPP2
SCHEMBL7721693 0.81 KMT2A (0.39) GLAKMT2AESR1HIF1ARECQL
SCHEMBL7717475 0.80 KMT2A (0.45) KMT2AESR1HIF1ARECQLSMN1; SMN2
SCHEMBL928962 0.80 ALDH1A1 (0.46) GLAKMT2ASMN1; SMN2POLBENPP3
SCHEMBL29904429 0.78 POLB (0.41) KMT2ASMN1; SMN2POLBENPP3ENPP1

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-6395446-B1 CONTAINING SULFONYLDIAZOMETHANE COMPOUND AS ACID GENERATOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-05-28 US disclosed