SCHEMBL7849587

SCHEMBL7849587

Cc1ccc(S(=O)(=O)OCC2(COS(=O)(=O)c3ccc(C)cc3)CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
STAT3 P40763 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
VDR P11473 1/20 0.37

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
SCHEMBL11637311 0.95 KMT2A (0.47) KMT2ASMN1; SMN2STAT3GAAALDH1A1
SCHEMBL17442 0.92 KMT2A (0.46) KMT2ASMN1; SMN2STAT3GAAALDH1A1
SCHEMBL18047923 0.91 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2STAT3GAAALDH1A1
SCHEMBL7863108 0.91 KMT2A (0.45) KMT2ASMN1; SMN2STAT3GAAALDH1A1
SCHEMBL18218 0.90 KMT2A (0.47) KMT2ASMN1; SMN2STAT3GAAALDH1A1
SCHEMBL26960 0.90 KMT2A (0.44) KMT2ASMN1; SMN2STAT3GAAALDH1A1
SCHEMBL18334492 0.88 KMT2A (0.41) KMT2ASMN1; SMN2STAT3GAAALDH1A1
SCHEMBL16835 0.87 KMT2A (0.44) KMT2ASMN1; SMN2STAT3GAAALDH1A1
SCHEMBL27737475 0.87 KMT2A (0.42) KMT2ASMN1; SMN2STAT3GAAALDH1A1
SCHEMBL30140023 0.86 KMT2A (0.42) KMT2ASMN1; SMN2STAT3GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091942-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2001-04-18 EP disclosed
WO-2000001676-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2000-01-13 WO disclosed
US-3936429-A Reactive polymer FUJI PHOTO FILM CO., LTD. (JA) 1976-02-03 US disclosed